N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide

C19H28N4O2 — CID 138378584

IUPACN-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
SMILESCc1cccc(C(=O)N2CCCN(C(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-15-7-5-10-17(20-15)18(24)22-11-6-12-23(14-13-22)19(25)21-16-8-3-2-4-9-16/h5,7,10,16H,2-4,6,8-9,11-14H2,1H3,(H,21,25)
InChIKeyVBQXBQGCUSNYAB-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.58
Rot. Bonds2

About N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide

N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide (PubChem CID 138378584) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
PubChem CID138378584
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
SMILESCc1cccc(C(=O)N2CCCN(C(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-15-7-5-10-17(20-15)18(24)22-11-6-12-23(14-13-22)19(25)21-16-8-3-2-4-9-16/h5,7,10,16H,2-4,6,8-9,11-14H2,1H3,(H,21,25)
InChIKeyVBQXBQGCUSNYAB-UHFFFAOYSA-N
XLogP2.58
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094934
N-cyclopentyl-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094755
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 38217781
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110811448
N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide
CID 55595762
cyclopropyl-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 32890940
N-cyclopropyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109093812
N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 138380460
2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
CID 167780535
N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide
CID 47784765
N-cyclopentyl-4-(2,6-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110810749
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80665013

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide (CID 138378584) is N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide is Cc1cccc(C(=O)N2CCCN(C(=O)NC3CCCCC3)CC2)n1.
What is the InChIKey of N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide?
The InChIKey is VBQXBQGCUSNYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15-7-5-10-17(20-15)18(24)22-11-6-12-23(14-13-22)19(25)21-16-8-3-2-4-9-16/h5,7,10,16H,2-4,6,8-9,11-14H2,1H3,(H,21,25).
What are the key properties of N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide?
N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 138378584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).