N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide

C18H19N3O3 — CID 108925682

IUPACN-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)CCC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C18H19N3O3/c1-13(22)4-9-17(23)20-11-14-5-7-16(8-6-14)21-18(24)15-3-2-10-19-12-15/h2-3,5-8,10,12H,4,9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyKFJXOMCNECYFJF-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.32
Rot. Bonds7

About N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide

N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108925682) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
PubChem CID108925682
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)CCC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C18H19N3O3/c1-13(22)4-9-17(23)20-11-14-5-7-16(8-6-14)21-18(24)15-3-2-10-19-12-15/h2-3,5-8,10,12H,4,9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyKFJXOMCNECYFJF-UHFFFAOYSA-N
XLogP2.32
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925705
N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108925618
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925558
N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 120596241
N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 167869744
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925489
N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide (CID 108925682) is N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide is CC(=O)CCC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is KFJXOMCNECYFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13(22)4-9-17(23)20-11-14-5-7-16(8-6-14)21-18(24)15-3-2-10-19-12-15/h2-3,5-8,10,12H,4,9,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide?
N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).