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

C21H34FN5O — CID 56961647

IUPACN-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
SMILESCC(C)N1CCC(N2CCCN(c3cccc(C(=O)NCCF)n3)CC2)CC1
InChIInChI=1S/C21H34FN5O/c1-17(2)25-13-7-18(8-14-25)26-11-4-12-27(16-15-26)20-6-3-5-19(24-20)21(28)23-10-9-22/h3,5-6,17-18H,4,7-16H2,1-2H3,(H,23,28)
InChIKeyPYDYMCRNZCUTJV-UHFFFAOYSA-N
MW391.54 g/mol
LogP2.17
Rot. Bonds6

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

N-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide (PubChem CID 56961647) has the molecular formula C21H34FN5O and a molecular weight of 391.54 g/mol. Its IUPAC name is N-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
PubChem CID56961647
Molecular FormulaC21H34FN5O
Molecular Weight391.54 g/mol
Exact Mass391.27
IUPAC NameN-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
SMILESCC(C)N1CCC(N2CCCN(c3cccc(C(=O)NCCF)n3)CC2)CC1
InChIInChI=1S/C21H34FN5O/c1-17(2)25-13-7-18(8-14-25)26-11-4-12-27(16-15-26)20-6-3-5-19(24-20)21(28)23-10-9-22/h3,5-6,17-18H,4,7-16H2,1-2H3,(H,23,28)
InChIKeyPYDYMCRNZCUTJV-UHFFFAOYSA-N
XLogP2.17
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-fluoroethyl)-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-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 56962097
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-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide
CID 140802572
6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 167643277
N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172
6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 84573830
N-[3-(dimethylamino)propyl]-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573694
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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide (CID 56961647) is N-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide is CC(C)N1CCC(N2CCCN(c3cccc(C(=O)NCCF)n3)CC2)CC1.
What is the InChIKey of N-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
The InChIKey is PYDYMCRNZCUTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34FN5O/c1-17(2)25-13-7-18(8-14-25)26-11-4-12-27(16-15-26)20-6-3-5-19(24-20)21(28)23-10-9-22/h3,5-6,17-18H,4,7-16H2,1-2H3,(H,23,28).
What are the key properties of N-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
N-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 56961647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).