4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide

C15H17N3O — CID 115116983

IUPAC4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cc(CN)ccn2)cc1
InChIInChI=1S/C15H17N3O/c1-11-3-5-13(6-4-11)18(2)15(19)14-9-12(10-16)7-8-17-14/h3-9H,10,16H2,1-2H3
InChIKeyKAAJFYASISYPMN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.13
Rot. Bonds3

About 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide

4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 115116983) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID115116983
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cc(CN)ccn2)cc1
InChIInChI=1S/C15H17N3O/c1-11-3-5-13(6-4-11)18(2)15(19)14-9-12(10-16)7-8-17-14/h3-9H,10,16H2,1-2H3
InChIKeyKAAJFYASISYPMN-UHFFFAOYSA-N
XLogP2.13
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide (CID 115116983) is 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(N(C)C(=O)c2cc(CN)ccn2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is KAAJFYASISYPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-3-5-13(6-4-11)18(2)15(19)14-9-12(10-16)7-8-17-14/h3-9H,10,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide?
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 115116983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).