N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide

C25H30N4O3 — CID 55633554

IUPACN-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1)c1cccnc1
InChIInChI=1S/C25H30N4O3/c30-23(21-8-6-12-26-18-21)27-22-9-5-7-20(17-22)25(32)29-15-10-19(11-16-29)24(31)28-13-3-1-2-4-14-28/h5-9,12,17-19H,1-4,10-11,13-16H2,(H,27,30)
InChIKeySTQYFUPQPXCEPT-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.59
Rot. Bonds4

About N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide

N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide (PubChem CID 55633554) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
PubChem CID55633554
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1)c1cccnc1
InChIInChI=1S/C25H30N4O3/c30-23(21-8-6-12-26-18-21)27-22-9-5-7-20(17-22)25(32)29-15-10-19(11-16-29)24(31)28-13-3-1-2-4-14-28/h5-9,12,17-19H,1-4,10-11,13-16H2,(H,27,30)
InChIKeySTQYFUPQPXCEPT-UHFFFAOYSA-N
XLogP3.59
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119381577
N-[3-[4-(benzenesulfonamido)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 55634720
N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55633340
N-[3-(cyclopropanecarbonyl)phenyl]pyridine-3-carboxamide
CID 82122759
N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride
CID 119047654
(3aS,6aR)-2-[3-(pyridine-3-carbonylamino)benzoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683411
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 11164840
1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide
CID 44825551

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide (CID 55633554) is N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1)c1cccnc1.
What is the InChIKey of N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The InChIKey is STQYFUPQPXCEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-23(21-8-6-12-26-18-21)27-22-9-5-7-20(17-22)25(32)29-15-10-19(11-16-29)24(31)28-13-3-1-2-4-14-28/h5-9,12,17-19H,1-4,10-11,13-16H2,(H,27,30).
What are the key properties of N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55633554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).