5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide

C16H18ClN5O — CID 90648732

IUPAC5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCCN(c2ncccn2)C1)c1cncc(Cl)c1
InChIInChI=1S/C16H18ClN5O/c17-14-7-13(9-18-10-14)15(23)21-8-12-3-1-6-22(11-12)16-19-4-2-5-20-16/h2,4-5,7,9-10,12H,1,3,6,8,11H2,(H,21,23)
InChIKeyLAQWQGIVLYEVII-UHFFFAOYSA-N
MW331.81 g/mol
LogP2.17
Rot. Bonds4

About 5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide

5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 90648732) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID90648732
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCCN(c2ncccn2)C1)c1cncc(Cl)c1
InChIInChI=1S/C16H18ClN5O/c17-14-7-13(9-18-10-14)15(23)21-8-12-3-1-6-22(11-12)16-19-4-2-5-20-16/h2,4-5,7,9-10,12H,1,3,6,8,11H2,(H,21,23)
InChIKeyLAQWQGIVLYEVII-UHFFFAOYSA-N
XLogP2.17
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-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-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 77088126
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
CID 90652236
N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 99928341
3-oxo-N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 99939662
4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 90649799
tert-butyl N-[[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]methyl]carbamate
CID 71632288
N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide
CID 131891940
N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103923
5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 62175962
8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide
CID 97138878
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
1,2-dimethyl-3-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]guanidine
CID 97160556

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide (CID 90648732) is 5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide is O=C(NCC1CCCN(c2ncccn2)C1)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is LAQWQGIVLYEVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c17-14-7-13(9-18-10-14)15(23)21-8-12-3-1-6-22(11-12)16-19-4-2-5-20-16/h2,4-5,7,9-10,12H,1,3,6,8,11H2,(H,21,23).
What are the key properties of 5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 331.81 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 90648732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).