N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide

C23H37N5O — CID 56962097

IUPACN-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
SMILESCC(C)N1CCC(N2CCCN(c3cccc(C(=O)NCC4CC4)n3)CC2)CC1
InChIInChI=1S/C23H37N5O/c1-18(2)26-13-9-20(10-14-26)27-11-4-12-28(16-15-27)22-6-3-5-21(25-22)23(29)24-17-19-7-8-19/h3,5-6,18-20H,4,7-17H2,1-2H3,(H,24,29)
InChIKeyJOJPSTDQYMIMII-UHFFFAOYSA-N
MW399.58 g/mol
LogP2.61
Rot. Bonds6

About N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide

N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide (PubChem CID 56962097) has the molecular formula C23H37N5O and a molecular weight of 399.58 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
PubChem CID56962097
Molecular FormulaC23H37N5O
Molecular Weight399.58 g/mol
Exact Mass399.30
IUPAC NameN-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
SMILESCC(C)N1CCC(N2CCCN(c3cccc(C(=O)NCC4CC4)n3)CC2)CC1
InChIInChI=1S/C23H37N5O/c1-18(2)26-13-9-20(10-14-26)27-11-4-12-28(16-15-27)22-6-3-5-21(25-22)23(29)24-17-19-7-8-19/h3,5-6,18-20H,4,7-17H2,1-2H3,(H,24,29)
InChIKeyJOJPSTDQYMIMII-UHFFFAOYSA-N
XLogP2.61
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 56961647
6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 167643277
6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 167610792
N-(cyclopropylmethyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422510
N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide
CID 140802572
N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172
6-(ethylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 62238644
3-[6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole;tetrahydrochloride
CID 140701984
6-[4-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 56962044
6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053839
N-(2-hydroxypropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575059
methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate
CID 170993372

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide (CID 56962097) is N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide is CC(C)N1CCC(N2CCCN(c3cccc(C(=O)NCC4CC4)n3)CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
The InChIKey is JOJPSTDQYMIMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O/c1-18(2)26-13-9-20(10-14-26)27-11-4-12-28(16-15-27)22-6-3-5-21(25-22)23(29)24-17-19-7-8-19/h3,5-6,18-20H,4,7-17H2,1-2H3,(H,24,29).
What are the key properties of N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 56962097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).