4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide

C17H18ClN3O2 — CID 17424871

IUPAC4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c18-15-4-2-14(3-5-15)17(22)20-12-13-1-6-16(19-11-13)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)
InChIKeyDUHMTWQIDSKKDQ-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.50
Rot. Bonds4

About 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide

4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide (PubChem CID 17424871) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
PubChem CID17424871
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c18-15-4-2-14(3-5-15)17(22)20-12-13-1-6-16(19-11-13)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)
InChIKeyDUHMTWQIDSKKDQ-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

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Related Compounds

4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 30354650
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 18204721
4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 16602299
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide
CID 24646619
4-fluoro-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 17469565
N-[[4-(difluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 166216056
N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 29320346
4-chloro-N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butyl]benzamide
CID 37482931
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
CID 119839439
5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 43167979
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide (CID 17424871) is 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is DUHMTWQIDSKKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-15-4-2-14(3-5-15)17(22)20-12-13-1-6-16(19-11-13)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22).
What are the key properties of 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide 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 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 17424871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).