N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide

C18H18ClN3O3 — CID 109082968

IUPACN-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccnc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C18H18ClN3O3/c19-15-4-2-1-3-14(15)12-21-17(23)13-5-6-20-16(11-13)18(24)22-7-9-25-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyAVBSWANFGORIDV-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.14
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide

N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide (PubChem CID 109082968) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
PubChem CID109082968
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccnc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C18H18ClN3O3/c19-15-4-2-1-3-14(15)12-21-17(23)13-5-6-20-16(11-13)18(24)22-7-9-25-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyAVBSWANFGORIDV-UHFFFAOYSA-N
XLogP2.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081046
N-(2-methylpropyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109079570
N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081205
N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080517
4-N-[(2-chlorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086644
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083009
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109084938
N-(3,5-dichlorophenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083095
N-(2,4-dichlorophenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083093
2-(piperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109081218
2-(4-acetylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109083708

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide (CID 109082968) is N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide is O=C(NCc1ccccc1Cl)c1ccnc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide?
The InChIKey is AVBSWANFGORIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c19-15-4-2-1-3-14(15)12-21-17(23)13-5-6-20-16(11-13)18(24)22-7-9-25-10-8-22/h1-6,11H,7-10,12H2,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide has a molecular weight of 359.81 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109082968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).