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

C15H16ClN3O — CID 62186393

IUPACN-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H16ClN3O/c1-2-17-13-7-8-18-14(9-13)15(20)19-10-11-3-5-12(16)6-4-11/h3-9H,2,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyDEXILWHSQAXLAS-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.10
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide (PubChem CID 62186393) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
PubChem CID62186393
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H16ClN3O/c1-2-17-13-7-8-18-14(9-13)15(20)19-10-11-3-5-12(16)6-4-11/h3-9H,2,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyDEXILWHSQAXLAS-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

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203069
N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
4-[(4-chlorophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 43395704
N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201908
N-[(4-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109211790
N-(3,5-dichlorophenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62172602
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62175472
4-[(4-chlorophenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109211886
4-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109211884
N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211921

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide (CID 62186393) is N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide is CCNc1ccnc(C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide?
The InChIKey is DEXILWHSQAXLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-17-13-7-8-18-14(9-13)15(20)19-10-11-3-5-12(16)6-4-11/h3-9H,2,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-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-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62186393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).