N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide

C17H18ClN3O2 — CID 34232545

IUPACN-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H18ClN3O2/c1-12-10-14(18)3-4-15(12)20-17(22)13-2-5-16(19-11-13)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,22)
InChIKeyGVOKHBWDSPNNAX-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.13
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide

N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 34232545) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID34232545
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H18ClN3O2/c1-12-10-14(18)3-4-15(12)20-17(22)13-2-5-16(19-11-13)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,22)
InChIKeyGVOKHBWDSPNNAX-UHFFFAOYSA-N
XLogP3.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84571011
N-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 126514787
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
N-(2,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152594
N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826
N-(5-methyl-2-pyridinyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18142509
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 38760833
N-(2,5-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152595
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 90433890

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide (CID 34232545) is N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is GVOKHBWDSPNNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12-10-14(18)3-4-15(12)20-17(22)13-2-5-16(19-11-13)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 34232545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).