4-[(3-methyl-2-pyridinyl)methylamino]benzamide

C14H15N3O — CID 112649993

IUPAC4-[(3-methyl-2-pyridinyl)methylamino]benzamide
SMILESCc1cccnc1CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H15N3O/c1-10-3-2-8-16-13(10)9-17-12-6-4-11(5-7-12)14(15)18/h2-8,17H,9H2,1H3,(H2,15,18)
InChIKeyHWKKBFHKYQSEMP-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.10
Rot. Bonds4

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

4-[(3-methyl-2-pyridinyl)methylamino]benzamide (PubChem CID 112649993) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(3-methyl-2-pyridinyl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(3-methyl-2-pyridinyl)methylamino]benzamide
PubChem CID112649993
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-[(3-methyl-2-pyridinyl)methylamino]benzamide
SMILESCc1cccnc1CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H15N3O/c1-10-3-2-8-16-13(10)9-17-12-6-4-11(5-7-12)14(15)18/h2-8,17H,9H2,1H3,(H2,15,18)
InChIKeyHWKKBFHKYQSEMP-UHFFFAOYSA-N
XLogP2.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
CID 63305919
4-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650022
4-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62747967
3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide
CID 63306626
4-amino-3-[(3-methyl-2-pyridinyl)methylamino]benzoic acid
CID 82795636
N-[(3-methyl-2-pyridinyl)methyl]thiophen-3-amine
CID 112650234
N-[4-[(3-methyl-2-pyridinyl)methylamino]phenyl]-2-morpholin-4-ylacetamide
CID 86786863
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650029
1-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749300
3-fluoro-4-[(3-methyl-2-pyridinyl)methylamino]benzenecarbothioamide
CID 63306579
2-[(3-methyl-2-pyridinyl)methylamino]-N-phenylacetamide
CID 55205384

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-pyridinyl)methylamino]benzamide?
The IUPAC name of 4-[(3-methyl-2-pyridinyl)methylamino]benzamide (CID 112649993) is 4-[(3-methyl-2-pyridinyl)methylamino]benzamide.
What is the SMILES notation for 4-[(3-methyl-2-pyridinyl)methylamino]benzamide?
The canonical SMILES for 4-[(3-methyl-2-pyridinyl)methylamino]benzamide is Cc1cccnc1CNc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(3-methyl-2-pyridinyl)methylamino]benzamide?
The InChIKey is HWKKBFHKYQSEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-3-2-8-16-13(10)9-17-12-6-4-11(5-7-12)14(15)18/h2-8,17H,9H2,1H3,(H2,15,18).
What are the key properties of 4-[(3-methyl-2-pyridinyl)methylamino]benzamide?
4-[(3-methyl-2-pyridinyl)methylamino]benzamide has a molecular weight of 241.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-pyridinyl)methylamino]benzamide is sourced from PubChem (CID 112649993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).