2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide

C24H30N4O2 — CID 53200695

IUPAC2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)C2CC2)cc1N1CCCCCC1)c1ccccn1
InChIInChI=1S/C24H30N4O2/c1-17(21-8-4-5-13-25-21)26-24(30)20-12-11-19(27-23(29)18-9-10-18)16-22(20)28-14-6-2-3-7-15-28/h4-5,8,11-13,16-18H,2-3,6-7,9-10,14-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyJFUNGNJZHUDAKW-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.30
Rot. Bonds6

About 2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide

2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 53200695) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID53200695
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)C2CC2)cc1N1CCCCCC1)c1ccccn1
InChIInChI=1S/C24H30N4O2/c1-17(21-8-4-5-13-25-21)26-24(30)20-12-11-19(27-23(29)18-9-10-18)16-22(20)28-14-6-2-3-7-15-28/h4-5,8,11-13,16-18H,2-3,6-7,9-10,14-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyJFUNGNJZHUDAKW-UHFFFAOYSA-N
XLogP4.30
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 46599128
5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4302444
N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide
CID 124614551
N-[3-(azepan-1-yl)-4-(4-methyl-2-pyridin-2-ylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 157036238
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 53146022
N-butan-2-yl-5-(cyclopropanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 42755696
5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3689209
tert-butyl 4-[2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)benzoyl]-3-pyridin-2-ylpiperazine-1-carboxylate
CID 157036076
N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide
CID 5238984
N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 4036927
4-acetamido-N-[1-(4-fluorophenyl)ethyl]-2-piperidin-1-ylbenzamide
CID 53145950

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide (CID 53200695) is 2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide is CC(NC(=O)c1ccc(NC(=O)C2CC2)cc1N1CCCCCC1)c1ccccn1.
What is the InChIKey of 2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is JFUNGNJZHUDAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-17(21-8-4-5-13-25-21)26-24(30)20-12-11-19(27-23(29)18-9-10-18)16-22(20)28-14-6-2-3-7-15-28/h4-5,8,11-13,16-18H,2-3,6-7,9-10,14-15H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide?
2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 406.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 53200695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).