2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium

C56H57N11O5Ru — CID 160877164

IUPAC2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium
SMILESC=CCCC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=C)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.[Ru]
InChIInChI=1S/C19H20N4O.C19H19N3O2.C18H18N4O2.Ru/c1-4-8-20-14(3)15-6-10-21-17(12-15)18-13-16(7-11-22-18)19(24)23-9-5-2;1-3-5-6-18(23)14-7-10-20-16(12-14)17-13-15(8-11-21-17)19(24)22-9-4-2;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;/h4-7,10-13,20H,1-3,8-9H2,(H,23,24);3-4,7-8,10-13H,1-2,5-6,9H2,(H,22,24);3-6,9-12H,1-2,7-8H2,(H,21,23)(H,22,24);
InChIKeySMNWYFIVHKLPEL-UHFFFAOYSA-N
MW1065.21 g/mol
LogP7.99
Rot. Bonds23

About 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium

2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium (PubChem CID 160877164) has the molecular formula C56H57N11O5Ru and a molecular weight of 1065.21 g/mol. Its IUPAC name is 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium.

Molecular Properties

Compound Name2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium
PubChem CID160877164
Molecular FormulaC56H57N11O5Ru
Molecular Weight1065.21 g/mol
Exact Mass1065.36
IUPAC Name2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium
SMILESC=CCCC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=C)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.[Ru]
InChIInChI=1S/C19H20N4O.C19H19N3O2.C18H18N4O2.Ru/c1-4-8-20-14(3)15-6-10-21-17(12-15)18-13-16(7-11-22-18)19(24)23-9-5-2;1-3-5-6-18(23)14-7-10-20-16(12-14)17-13-15(8-11-21-17)19(24)22-9-4-2;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;/h4-7,10-13,20H,1-3,8-9H2,(H,23,24);3-4,7-8,10-13H,1-2,5-6,9H2,(H,22,24);3-6,9-12H,1-2,7-8H2,(H,21,23)(H,22,24);
InChIKeySMNWYFIVHKLPEL-UHFFFAOYSA-N
XLogP7.99
TPSA222.84 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001065.21
LogP ≤ 57.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

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;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;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;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium?
The IUPAC name of 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium (CID 160877164) is 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium.
What is the SMILES notation for 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium?
The canonical SMILES for 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium is C=CCCC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=C)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.[Ru].
What is the InChIKey of 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium?
The InChIKey is SMNWYFIVHKLPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.C19H19N3O2.C18H18N4O2.Ru/c1-4-8-20-14(3)15-6-10-21-17(12-15)18-13-16(7-11-22-18)19(24)23-9-5-2;1-3-5-6-18(23)14-7-10-20-16(12-14)17-13-15(8-11-21-17)19(24)22-9-4-2;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;/h4-7,10-13,20H,1-3,8-9H2,(H,23,24);3-4,7-8,10-13H,1-2,5-6,9H2,(H,22,24);3-6,9-12H,1-2,7-8H2,(H,21,23)(H,22,24);.
What are the key properties of 2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium?
2-(4-pent-4-enoyl-2-pyridinyl)-N-prop-2-enylpyridine-4-carboxamide;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium has a molecular weight of 1065.21 g/mol, XLogP of 7.99, 23 rotatable bonds, 5 hydrogen bond donors, and 12 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;N-prop-2-enyl-2-[4-[1-(prop-2-enylamino)ethenyl]-2-pyridinyl]pyridine-4-carboxamide;N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;ruthenium is sourced from PubChem (CID 160877164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).