2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium

C98H95N19O9Ru2 — CID 157197391

IUPAC2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium
SMILESC=CCCC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCCC(=O)c1ccnc(-c2ccccn2)c1.C=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=O)c1ccnc(-c2ccccn2)c1.C=CCNC(=O)c1ccnc(-c2ccccn2)c1.[Ru].[Ru]
InChIInChI=1S/C19H19N3O2.2C18H18N4O2.C15H14N2O.2C14H13N3O.2Ru/c1-3-5-6-18(23)14-7-10-20-16(12-14)17-13-15(8-11-21-17)19(24)22-9-4-2;2*1-3-7-21-17(23)13-5-9-19-15(11-13)16-12-14(6-10-20-16)18(24)22-8-4-2;1-2-3-7-15(18)12-8-10-17-14(11-12)13-6-4-5-9-16-13;2*1-2-7-17-14(18)11-6-9-16-13(10-11)12-5-3-4-8-15-12;;/h3-4,7-8,10-13H,1-2,5-6,9H2,(H,22,24);2*3-6,9-12H,1-2,7-8H2,(H,21,23)(H,22,24);2,4-6,8-11H,1,3,7H2;2*2-6,8-10H,1,7H2,(H,17,18);;
InChIKeyAQKCVEMAHVXLGO-UHFFFAOYSA-N
MW1885.10 g/mol
LogP14.56
Rot. Bonds35

About 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium

2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium (PubChem CID 157197391) has the molecular formula C98H95N19O9Ru2 and a molecular weight of 1885.10 g/mol. Its IUPAC name is 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium.

Molecular Properties

Compound Name2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium
PubChem CID157197391
Molecular FormulaC98H95N19O9Ru2
Molecular Weight1885.10 g/mol
Exact Mass1885.56
IUPAC Name2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium
SMILESC=CCCC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCCC(=O)c1ccnc(-c2ccccn2)c1.C=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=O)c1ccnc(-c2ccccn2)c1.C=CCNC(=O)c1ccnc(-c2ccccn2)c1.[Ru].[Ru]
InChIInChI=1S/C19H19N3O2.2C18H18N4O2.C15H14N2O.2C14H13N3O.2Ru/c1-3-5-6-18(23)14-7-10-20-16(12-14)17-13-15(8-11-21-17)19(24)22-9-4-2;2*1-3-7-21-17(23)13-5-9-19-15(11-13)16-12-14(6-10-20-16)18(24)22-8-4-2;1-2-3-7-15(18)12-8-10-17-14(11-12)13-6-4-5-9-16-13;2*1-2-7-17-14(18)11-6-9-16-13(10-11)12-5-3-4-8-15-12;;/h3-4,7-8,10-13H,1-2,5-6,9H2,(H,22,24);2*3-6,9-12H,1-2,7-8H2,(H,21,23)(H,22,24);2,4-6,8-11H,1,3,7H2;2*2-6,8-10H,1,7H2,(H,17,18);;
InChIKeyAQKCVEMAHVXLGO-UHFFFAOYSA-N
XLogP14.56
TPSA392.52 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds35
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001885.10
LogP ≤ 514.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium?
The IUPAC name of 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium (CID 157197391) is 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium.
What is the SMILES notation for 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium?
The canonical SMILES for 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium is C=CCCC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCCC(=O)c1ccnc(-c2ccccn2)c1.C=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=O)c1ccnc(-c2ccccn2)c1.C=CCNC(=O)c1ccnc(-c2ccccn2)c1.[Ru].[Ru].
What is the InChIKey of 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium?
The InChIKey is AQKCVEMAHVXLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2.2C18H18N4O2.C15H14N2O.2C14H13N3O.2Ru/c1-3-5-6-18(23)14-7-10-20-16(12-14)17-13-15(8-11-21-17)19(24)22-9-4-2;2*1-3-7-21-17(23)13-5-9-19-15(11-13)16-12-14(6-10-20-16)18(24)22-8-4-2;1-2-3-7-15(18)12-8-10-17-14(11-12)13-6-4-5-9-16-13;2*1-2-7-17-14(18)11-6-9-16-13(10-11)12-5-3-4-8-15-12;;/h3-4,7-8,10-13H,1-2,5-6,9H2,(H,22,24);2*3-6,9-12H,1-2,7-8H2,(H,21,23)(H,22,24);2,4-6,8-11H,1,3,7H2;2*2-6,8-10H,1,7H2,(H,17,18);;.
What are the key properties of 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium?
2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium has a molecular weight of 1885.10 g/mol, XLogP of 14.56, 35 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);bis(N-prop-2-enyl-2-pyridin-2-ylpyridine-4-carboxamide);1-(2-pyridin-2-yl-4-pyridinyl)pent-4-en-1-one;ruthenium is sourced from PubChem (CID 157197391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).