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);ruthenium

C55H55N11O6Ru — CID 152823834

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);ruthenium
SMILESC=CCCC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.[Ru]
InChIInChI=1S/C19H19N3O2.2C18H18N4O2.Ru/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;/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);
InChIKeySUKWAYJXYBAERF-UHFFFAOYSA-N
MW1067.19 g/mol
LogP7.16
Rot. Bonds22

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);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);ruthenium (PubChem CID 152823834) has the molecular formula C55H55N11O6Ru and a molecular weight of 1067.19 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);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);ruthenium
PubChem CID152823834
Molecular FormulaC55H55N11O6Ru
Molecular Weight1067.19 g/mol
Exact Mass1067.34
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);ruthenium
SMILESC=CCCC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.[Ru]
InChIInChI=1S/C19H19N3O2.2C18H18N4O2.Ru/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;/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);
InChIKeySUKWAYJXYBAERF-UHFFFAOYSA-N
XLogP7.16
TPSA239.91 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001067.19
LogP ≤ 57.16
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;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);ruthenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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);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);ruthenium (CID 152823834) 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);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);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);ruthenium is C=CCCC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.C=CCNC(=O)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;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);ruthenium?
The InChIKey is SUKWAYJXYBAERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2.2C18H18N4O2.Ru/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;/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);.
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);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);ruthenium has a molecular weight of 1067.19 g/mol, XLogP of 7.16, 22 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;bis(N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);ruthenium is sourced from PubChem (CID 152823834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).