N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide

C22H26N4O2 — CID 11164840

IUPACN-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCN(C3CCC3)CC2)cc1)c1cccnc1
InChIInChI=1S/C22H26N4O2/c27-21(18-4-2-11-23-16-18)24-19-9-7-17(8-10-19)22(28)26-13-3-12-25(14-15-26)20-5-1-6-20/h2,4,7-11,16,20H,1,3,5-6,12-15H2,(H,24,27)
InChIKeyGFXAFACBRMHNBC-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.03
Rot. Bonds4

About N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide

N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 11164840) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID11164840
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCN(C3CCC3)CC2)cc1)c1cccnc1
InChIInChI=1S/C22H26N4O2/c27-21(18-4-2-11-23-16-18)24-19-9-7-17(8-10-19)22(28)26-13-3-12-25(14-15-26)20-5-1-6-20/h2,4,7-11,16,20H,1,3,5-6,12-15H2,(H,24,27)
InChIKeyGFXAFACBRMHNBC-UHFFFAOYSA-N
XLogP3.03
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 57442873
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 55633554
(4-cyclohexyl-1,4-diazepan-1-yl)-(4-pyrazin-2-ylphenyl)methanone
CID 119073848
N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide
CID 86958179
(4-chlorophenyl)-(4-cyclobutyl-1,4-diazepan-1-yl)methanone;hydrochloride
CID 162320465
(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 29024042
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
CID 53149742
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide (CID 11164840) is N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(=O)N2CCCN(C3CCC3)CC2)cc1)c1cccnc1.
What is the InChIKey of N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is GFXAFACBRMHNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-21(18-4-2-11-23-16-18)24-19-9-7-17(8-10-19)22(28)26-13-3-12-25(14-15-26)20-5-1-6-20/h2,4,7-11,16,20H,1,3,5-6,12-15H2,(H,24,27).
What are the key properties of N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide?
N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11164840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).