N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide

C31H42N2O2 — CID 160893931

IUPACN-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)CCCNC(=O)c1cccnc1
InChIInChI=1S/C31H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30(34)25-22-27-33-31(35)29-23-21-26-32-28-29/h3-4,6-7,9-10,12-13,15-16,18-19,21,23,26,28H,2,5,8,11,14,17,20,22,24-25,27H2,1H3,(H,33,35)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyMYQPAZCPVCSWHT-KUBAVDMBSA-N
MW474.69 g/mol
LogP7.64
Rot. Bonds19

About N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide

N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide (PubChem CID 160893931) has the molecular formula C31H42N2O2 and a molecular weight of 474.69 g/mol. Its IUPAC name is N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide
PubChem CID160893931
Molecular FormulaC31H42N2O2
Molecular Weight474.69 g/mol
Exact Mass474.32
IUPAC NameN-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)CCCNC(=O)c1cccnc1
InChIInChI=1S/C31H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30(34)25-22-27-33-31(35)29-23-21-26-32-28-29/h3-4,6-7,9-10,12-13,15-16,18-19,21,23,26,28H,2,5,8,11,14,17,20,22,24-25,27H2,1H3,(H,33,35)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyMYQPAZCPVCSWHT-KUBAVDMBSA-N
XLogP7.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.69
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(icosa-5,8,11,14,17-pentaenoylamino)butyl]pyridine-3-carboxamide
CID 123426220
N-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]-methylamino]ethyl]pyridine-3-carboxamide
CID 72550726
methyl (2S)-2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-6-(pyridine-3-carbonylamino)hexanoate
CID 58173194
N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 162176760
2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide
CID 162110812
(2S)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;sulfane
CID 162176757
N-[1-[2-(icosa-5,8,11,14,17-pentaenoylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide
CID 123414616
N-octadecylpyridine-3-carboxamide
CID 3547337
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 161180871
S-(sulfanylmethyl) 4-(pyridine-3-carbonylamino)butanethioate
CID 123417051
3-(1,1-dihydroxypropan-2-yl)-6-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-2-(pyridine-3-carbonylamino)hexanoic acid
CID 70306246

Frequently Asked Questions

What is the IUPAC name of N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide (CID 160893931) is N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)CCCNC(=O)c1cccnc1.
What is the InChIKey of N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide?
The InChIKey is MYQPAZCPVCSWHT-KUBAVDMBSA-N. The full InChI is InChI=1S/C31H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30(34)25-22-27-33-31(35)29-23-21-26-32-28-29/h3-4,6-7,9-10,12-13,15-16,18-19,21,23,26,28H,2,5,8,11,14,17,20,22,24-25,27H2,1H3,(H,33,35)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide?
N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide has a molecular weight of 474.69 g/mol, XLogP of 7.64, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide is sourced from PubChem (CID 160893931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).