N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide

C25H31FN4O2 — CID 91912947

IUPACN-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1C(=O)NCC1CCN(Cc2ccccc2F)CC1)c1ccncc1
InChIInChI=1S/C25H31FN4O2/c26-22-6-2-1-4-20(22)17-30-14-10-18(11-15-30)16-28-25(32)21-5-3-7-23(21)29-24(31)19-8-12-27-13-9-19/h1-2,4,6,8-9,12-13,18,21,23H,3,5,7,10-11,14-17H2,(H,28,32)(H,29,31)/t21-,23+/m0/s1
InChIKeyDXCHDZYGOAJWKB-JTHBVZDNSA-N
MW438.55 g/mol
LogP3.15
Rot. Bonds7

About N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide

N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide (PubChem CID 91912947) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
PubChem CID91912947
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC NameN-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1C(=O)NCC1CCN(Cc2ccccc2F)CC1)c1ccncc1
InChIInChI=1S/C25H31FN4O2/c26-22-6-2-1-4-20(22)17-30-14-10-18(11-15-30)16-28-25(32)21-5-3-7-23(21)29-24(31)19-8-12-27-13-9-19/h1-2,4,6,8-9,12-13,18,21,23H,3,5,7,10-11,14-17H2,(H,28,32)(H,29,31)/t21-,23+/m0/s1
InChIKeyDXCHDZYGOAJWKB-JTHBVZDNSA-N
XLogP3.15
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide
CID 71991294
N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913012
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 75423564
1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide
CID 5192241
N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913030
N-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 95205845
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 86786241
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide
CID 56709536
N-(cyclopropylmethyl)-4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide
CID 51104070
1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 15989563
N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91913019
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186556

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide (CID 91912947) is N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide is O=C(N[C@@H]1CCC[C@@H]1C(=O)NCC1CCN(Cc2ccccc2F)CC1)c1ccncc1.
What is the InChIKey of N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
The InChIKey is DXCHDZYGOAJWKB-JTHBVZDNSA-N. The full InChI is InChI=1S/C25H31FN4O2/c26-22-6-2-1-4-20(22)17-30-14-10-18(11-15-30)16-28-25(32)21-5-3-7-23(21)29-24(31)19-8-12-27-13-9-19/h1-2,4,6,8-9,12-13,18,21,23H,3,5,7,10-11,14-17H2,(H,28,32)(H,29,31)/t21-,23+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 91912947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).