N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide

C17H18ClN3O2 — CID 9401810

IUPACN-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C17H18ClN3O2/c18-14-3-1-2-13(10-14)12-20-17(22)16-11-15(4-5-19-16)21-6-8-23-9-7-21/h1-5,10-11H,6-9,12H2,(H,20,22)
InChIKeyYZVLQIQEISOEMD-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.50
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide

N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 9401810) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID9401810
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C17H18ClN3O2/c18-14-3-1-2-13(10-14)12-20-17(22)16-11-15(4-5-19-16)21-6-8-23-9-7-21/h1-5,10-11H,6-9,12H2,(H,20,22)
InChIKeyYZVLQIQEISOEMD-UHFFFAOYSA-N
XLogP2.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-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

4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209317
N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 99634295
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
2-(3-chlorophenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 55683273
N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 86804623
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 86804680
N-[(3-methylphenyl)methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109210191
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
5-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109184765
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 9401810) is N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide is O=C(NCc1cccc(Cl)c1)c1cc(N2CCOCC2)ccn1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is YZVLQIQEISOEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-14-3-1-2-13(10-14)12-20-17(22)16-11-15(4-5-19-16)21-6-8-23-9-7-21/h1-5,10-11H,6-9,12H2,(H,20,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 9401810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).