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

C15H16ClN3O — CID 105067967

IUPACN-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H16ClN3O/c1-2-18-14-10-17-8-7-12(14)15(20)19-9-11-5-3-4-6-13(11)16/h3-8,10,18H,2,9H2,1H3,(H,19,20)
InChIKeyVHVSKLXPATWFEF-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.10
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide (PubChem CID 105067967) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide
PubChem CID105067967
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H16ClN3O/c1-2-18-14-10-17-8-7-12(14)15(20)19-9-11-5-3-4-6-13(11)16/h3-8,10,18H,2,9H2,1H3,(H,19,20)
InChIKeyVHVSKLXPATWFEF-UHFFFAOYSA-N
XLogP3.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105071500
N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81234516
3-(ethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 105069649
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726855
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105070295
3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide
CID 91643727
N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105071246
3-(ethylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-4-carboxamide
CID 106408256
3-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-carboxamide
CID 105069474
3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070656

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide (CID 105067967) is N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide is CCNc1cnccc1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide?
The InChIKey is VHVSKLXPATWFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-18-14-10-17-8-7-12(14)15(20)19-9-11-5-3-4-6-13(11)16/h3-8,10,18H,2,9H2,1H3,(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105067967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).