N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide

C16H18ClN3O — CID 109179268

IUPACN-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2ccccc2Cl)nc1
InChIInChI=1S/C16H18ClN3O/c1-2-9-18-13-7-8-15(19-11-13)16(21)20-10-12-5-3-4-6-14(12)17/h3-8,11,18H,2,9-10H2,1H3,(H,20,21)
InChIKeyJALCSGMBSKQRJX-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.49
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide

N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide (PubChem CID 109179268) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
PubChem CID109179268
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2ccccc2Cl)nc1
InChIInChI=1S/C16H18ClN3O/c1-2-9-18-13-7-8-15(19-11-13)16(21)20-10-12-5-3-4-6-14(12)17/h3-8,11,18H,2,9-10H2,1H3,(H,20,21)
InChIKeyJALCSGMBSKQRJX-UHFFFAOYSA-N
XLogP3.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109189878
5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183086
5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109189885
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104640089
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109184031
N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179356
5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 104641010
N-[(5-methylpyrazin-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104641173
5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide
CID 109179863
N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 136529873
4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109201013

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide (CID 109179268) is N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(C(=O)NCc2ccccc2Cl)nc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is JALCSGMBSKQRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-9-18-13-7-8-15(19-11-13)16(21)20-10-12-5-3-4-6-14(12)17/h3-8,11,18H,2,9-10H2,1H3,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109179268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).