2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide

C14H14ClN3O — CID 54864534

IUPAC2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
SMILESCNC(=O)c1cc(NCc2ccncc2)ccc1Cl
InChIInChI=1S/C14H14ClN3O/c1-16-14(19)12-8-11(2-3-13(12)15)18-9-10-4-6-17-7-5-10/h2-8,18H,9H2,1H3,(H,16,19)
InChIKeyPUCZVSDPNSWECJ-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.71
Rot. Bonds4

About 2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide

2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide (PubChem CID 54864534) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
PubChem CID54864534
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
SMILESCNC(=O)c1cc(NCc2ccncc2)ccc1Cl
InChIInChI=1S/C14H14ClN3O/c1-16-14(19)12-8-11(2-3-13(12)15)18-9-10-4-6-17-7-5-10/h2-8,18H,9H2,1H3,(H,16,19)
InChIKeyPUCZVSDPNSWECJ-UHFFFAOYSA-N
XLogP2.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide
CID 55109869
2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 54865176
2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide
CID 54865163
2-chloro-4-(pyridin-4-ylmethylamino)benzoic acid
CID 17058958
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide
CID 106936516
2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide
CID 60936552
2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide
CID 64593149
2-chloro-N-methyl-5-pyridin-4-ylbenzamide
CID 28809932
2-chloro-N-methyl-5-(2-phenylethylamino)benzamide
CID 60934816
2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
CID 60934687
2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 62134778

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of 2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide (CID 54864534) is 2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide is CNC(=O)c1cc(NCc2ccncc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is PUCZVSDPNSWECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-16-14(19)12-8-11(2-3-13(12)15)18-9-10-4-6-17-7-5-10/h2-8,18H,9H2,1H3,(H,16,19).
What are the key properties of 2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide?
2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 275.74 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 54864534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).