N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide

C25H40FN5O — CID 118422514

IUPACN-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NCC1CC1)C1=CC=CC(N2CCCN(C3CCN(C4CCCC4F)CC3)CC2)N1
InChIInChI=1S/C25H40FN5O/c26-21-4-1-6-23(21)30-14-10-20(11-15-30)29-12-3-13-31(17-16-29)24-7-2-5-22(28-24)25(32)27-18-19-8-9-19/h2,5,7,19-21,23-24,28H,1,3-4,6,8-18H2,(H,27,32)
InChIKeyGJIYNUYSDWEGLM-UHFFFAOYSA-N
MW445.63 g/mol
LogP2.24
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide

N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide (PubChem CID 118422514) has the molecular formula C25H40FN5O and a molecular weight of 445.63 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
PubChem CID118422514
Molecular FormulaC25H40FN5O
Molecular Weight445.63 g/mol
Exact Mass445.32
IUPAC NameN-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NCC1CC1)C1=CC=CC(N2CCCN(C3CCN(C4CCCC4F)CC3)CC2)N1
InChIInChI=1S/C25H40FN5O/c26-21-4-1-6-23(21)30-14-10-20(11-15-30)29-12-3-13-31(17-16-29)24-7-2-5-22(28-24)25(32)27-18-19-8-9-19/h2,5,7,19-21,23-24,28H,1,3-4,6,8-18H2,(H,27,32)
InChIKeyGJIYNUYSDWEGLM-UHFFFAOYSA-N
XLogP2.24
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-difluoroethyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422378
2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-6-carboxamide
CID 118422381
N-(cyclopropylmethyl)-2-[4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422391
N-(cyclopropylmethyl)-2-[4-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422506
N-[3-(1,2-dihydroimidazol-3-yl)propyl]-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422373
N-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide
CID 118422376
N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422380
2-[4-(1-Propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422384
N-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422385
N-(cyclopropylmethyl)-2-[4-[1-(oxolan-3-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422402
N-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422419
N-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide
CID 118422434

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide (CID 118422514) is N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide is O=C(NCC1CC1)C1=CC=CC(N2CCCN(C3CCN(C4CCCC4F)CC3)CC2)N1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The InChIKey is GJIYNUYSDWEGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40FN5O/c26-21-4-1-6-23(21)30-14-10-20(11-15-30)29-12-3-13-31(17-16-29)24-7-2-5-22(28-24)25(32)27-18-19-8-9-19/h2,5,7,19-21,23-24,28H,1,3-4,6,8-18H2,(H,27,32).
What are the key properties of N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide has a molecular weight of 445.63 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 118422514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).