4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide

C14H14ClN3O — CID 104821854

IUPAC4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
SMILESCc1ccc(CNc2cc(C(N)=O)ccc2Cl)cn1
InChIInChI=1S/C14H14ClN3O/c1-9-2-3-10(7-17-9)8-18-13-6-11(14(16)19)4-5-12(13)15/h2-7,18H,8H2,1H3,(H2,16,19)
InChIKeyBOKDYHMSLXZDOI-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.75
Rot. Bonds4

About 4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide

4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide (PubChem CID 104821854) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
PubChem CID104821854
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
SMILESCc1ccc(CNc2cc(C(N)=O)ccc2Cl)cn1
InChIInChI=1S/C14H14ClN3O/c1-9-2-3-10(7-17-9)8-18-13-6-11(14(16)19)4-5-12(13)15/h2-7,18H,8H2,1H3,(H2,16,19)
InChIKeyBOKDYHMSLXZDOI-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

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Related Compounds

4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294
3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide
CID 105401162
4-chloro-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43679399
4-chloro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzamide
CID 62741784
4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43679573
2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821841
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66398095
4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide
CID 79881862
methyl 4-chloro-3-[(2-chloropyrimidin-5-yl)methylamino]benzoate
CID 156753170
4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide
CID 62996754
2-chloro-5-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,4-diamine
CID 113334324
2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 62989638

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide?
The IUPAC name of 4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide (CID 104821854) is 4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide.
What is the SMILES notation for 4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide?
The canonical SMILES for 4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide is Cc1ccc(CNc2cc(C(N)=O)ccc2Cl)cn1.
What is the InChIKey of 4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide?
The InChIKey is BOKDYHMSLXZDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9-2-3-10(7-17-9)8-18-13-6-11(14(16)19)4-5-12(13)15/h2-7,18H,8H2,1H3,(H2,16,19).
What are the key properties of 4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide?
4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]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-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide is sourced from PubChem (CID 104821854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).