4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide

C14H14ClN3O — CID 79004039

IUPAC4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2cc(Cl)ccn2)n1
InChIInChI=1S/C14H14ClN3O/c1-10-4-3-5-12(17-10)9-18(2)14(19)13-8-11(15)6-7-16-13/h3-8H,9H2,1-2H3
InChIKeyPKMYQARWEPJOQT-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.71
Rot. Bonds3

About 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide

4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 79004039) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID79004039
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2cc(Cl)ccn2)n1
InChIInChI=1S/C14H14ClN3O/c1-10-4-3-5-12(17-10)9-18(2)14(19)13-8-11(15)6-7-16-13/h3-8H,9H2,1-2H3
InChIKeyPKMYQARWEPJOQT-UHFFFAOYSA-N
XLogP2.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004101
4-amino-N,6-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 81245334
5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 79003905
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103957226
4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 86920890
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide
CID 107032638
4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
CID 79004078
5-hydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004030
2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 114372600
4-chloro-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 9463211

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide (CID 79004039) is 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide is Cc1cccc(CN(C)C(=O)c2cc(Cl)ccn2)n1.
What is the InChIKey of 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is PKMYQARWEPJOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10-4-3-5-12(17-10)9-18(2)14(19)13-8-11(15)6-7-16-13/h3-8H,9H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 79004039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).