N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide

C21H27ClN4O — CID 70071023

IUPACN-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide
SMILESCC(C)C(Nc1ncccc1C(=O)Nc1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C21H27ClN4O/c1-14(2)19(15-8-11-23-12-9-15)26-20-18(7-4-10-24-20)21(27)25-17-6-3-5-16(22)13-17/h3-7,10,13-15,19,23H,8-9,11-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyMWJTYFOVFXMSMT-UHFFFAOYSA-N
MW386.93 g/mol
LogP4.42
Rot. Bonds6

About N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide

N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide (PubChem CID 70071023) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide
PubChem CID70071023
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC NameN-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide
SMILESCC(C)C(Nc1ncccc1C(=O)Nc1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C21H27ClN4O/c1-14(2)19(15-8-11-23-12-9-15)26-20-18(7-4-10-24-20)21(27)25-17-6-3-5-16(22)13-17/h3-7,10,13-15,19,23H,8-9,11-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyMWJTYFOVFXMSMT-UHFFFAOYSA-N
XLogP4.42
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835
2-amino-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 62155044
N-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide
CID 23438711
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide
CID 54396352
N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574743
N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide
CID 23093892
N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 71496162
N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 75435675
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629
N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244989
3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(2-methyl-1-piperidin-4-ylpropyl)amino]benzoic acid
CID 70065170

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide (CID 70071023) is N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide is CC(C)C(Nc1ncccc1C(=O)Nc1cccc(Cl)c1)C1CCNCC1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide?
The InChIKey is MWJTYFOVFXMSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O/c1-14(2)19(15-8-11-23-12-9-15)26-20-18(7-4-10-24-20)21(27)25-17-6-3-5-16(22)13-17/h3-7,10,13-15,19,23H,8-9,11-12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide?
N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide has a molecular weight of 386.93 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 70071023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).