N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide

C14H14ClN3O — CID 81234516

IUPACN-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H14ClN3O/c1-16-13-6-7-17-9-11(13)14(19)18-8-10-4-2-3-5-12(10)15/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyRTXJXNRMVZPVPI-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.71
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81234516) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
PubChem CID81234516
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H14ClN3O/c1-16-13-6-7-17-9-11(13)14(19)18-8-10-4-2-3-5-12(10)15/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyRTXJXNRMVZPVPI-UHFFFAOYSA-N
XLogP2.71
TPSA54.02 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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81245012
N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105067967
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726855
N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide
CID 62510687
N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 103293346
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81240302
4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897669
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851434
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
N-(3-chloro-2-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234663
5-chloro-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701870

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide (CID 81234516) is N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is RTXJXNRMVZPVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-16-13-6-7-17-9-11(13)14(19)18-8-10-4-2-3-5-12(10)15/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81234516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).