4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide

C14H14ClN3O — CID 65483750

IUPAC4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide
SMILESCc1ccnc(Cl)c1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H14ClN3O/c1-9-6-7-17-13(15)12(9)18-8-10-2-4-11(5-3-10)14(16)19/h2-7,18H,8H2,1H3,(H2,16,19)
InChIKeySFUAELKTKFOQGZ-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.75
Rot. Bonds4

About 4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide

4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide (PubChem CID 65483750) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide
PubChem CID65483750
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide
SMILESCc1ccnc(Cl)c1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H14ClN3O/c1-9-6-7-17-13(15)12(9)18-8-10-2-4-11(5-3-10)14(16)19/h2-7,18H,8H2,1H3,(H2,16,19)
InChIKeySFUAELKTKFOQGZ-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2-chloro-4-methylpyridin-3-amine
CID 65484317
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine
CID 65489501
4-(chloromethyl)-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65489874
2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 65485686
2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine
CID 65484321
4-[(4-chloro-2-methylanilino)methyl]benzamide
CID 43234717
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 65482959
4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
CID 65490501
4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide
CID 75446192
2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine
CID 65483153
2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 81311469

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide?
The IUPAC name of 4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide (CID 65483750) is 4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide is Cc1ccnc(Cl)c1NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide?
The InChIKey is SFUAELKTKFOQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9-6-7-17-13(15)12(9)18-8-10-2-4-11(5-3-10)14(16)19/h2-7,18H,8H2,1H3,(H2,16,19).
What are the key properties of 4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide?
4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide has a molecular weight of 275.74 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide is sourced from PubChem (CID 65483750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).