N-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide

C20H28ClN5O — CID 23438723

IUPACN-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide
SMILESCC(C)N1CCC(CNC2(C(=O)Nc3ccc(Cl)cn3)C=CC=CN2)CC1
InChIInChI=1S/C20H28ClN5O/c1-15(2)26-11-7-16(8-12-26)13-24-20(9-3-4-10-23-20)19(27)25-18-6-5-17(21)14-22-18/h3-6,9-10,14-16,23-24H,7-8,11-13H2,1-2H3,(H,22,25,27)
InChIKeyNUHJYNPAUGKUEM-UHFFFAOYSA-N
MW389.93 g/mol
LogP2.75
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide

N-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide (PubChem CID 23438723) has the molecular formula C20H28ClN5O and a molecular weight of 389.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide
PubChem CID23438723
Molecular FormulaC20H28ClN5O
Molecular Weight389.93 g/mol
Exact Mass389.20
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide
SMILESCC(C)N1CCC(CNC2(C(=O)Nc3ccc(Cl)cn3)C=CC=CN2)CC1
InChIInChI=1S/C20H28ClN5O/c1-15(2)26-11-7-16(8-12-26)13-24-20(9-3-4-10-23-20)19(27)25-18-6-5-17(21)14-22-18/h3-6,9-10,14-16,23-24H,7-8,11-13H2,1-2H3,(H,22,25,27)
InChIKeyNUHJYNPAUGKUEM-UHFFFAOYSA-N
XLogP2.75
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide with MolForge

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Related Compounds

1-(5-Chloropyridin-2-yl)piperazine
CID 3805301
1-(3-Chloropyridin-2-yl)piperazine
CID 11412944
2-Acetamido-5-chloropyridine
CID 798653
N-(5-chloropyridin-2-yl)-2-methylpentanamide
CID 2889757
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252
N-(5-chloropyridin-2-yl)cyclopropanecarboxamide
CID 686089
N-(5-chloropyridin-2-yl)-2-morpholin-4-ylacetamide
CID 1250810
n-(2-Chlorophenyl)-4-(pyridin-2-yl)piperazine-1-carboxamide
CID 752316
N-{4-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]pentan-2-yl}cyclohexanecarboxamide
CID 9550400
N-(4-chlorophenyl)-N'-{6-[4-(trifluoromethyl)piperidino]-3-pyridyl}urea
CID 2746266
1-{2-[2-(5-Chloro-pyridin-2-ylamino)-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile
CID 9864687
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 9946897

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide (CID 23438723) is N-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide is CC(C)N1CCC(CNC2(C(=O)Nc3ccc(Cl)cn3)C=CC=CN2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide?
The InChIKey is NUHJYNPAUGKUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O/c1-15(2)26-11-7-16(8-12-26)13-24-20(9-3-4-10-23-20)19(27)25-18-6-5-17(21)14-22-18/h3-6,9-10,14-16,23-24H,7-8,11-13H2,1-2H3,(H,22,25,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide?
N-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide has a molecular weight of 389.93 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 23438723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).