N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide

C18H22ClN3O — CID 109165762

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)NCCc2cccc(Cl)c2)ccn1
InChIInChI=1S/C18H22ClN3O/c1-13(2)12-22-17-11-15(7-9-20-17)18(23)21-8-6-14-4-3-5-16(19)10-14/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPYDKZDDPJJXFAG-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.78
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide (PubChem CID 109165762) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
PubChem CID109165762
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)NCCc2cccc(Cl)c2)ccn1
InChIInChI=1S/C18H22ClN3O/c1-13(2)12-22-17-11-15(7-9-20-17)18(23)21-8-6-14-4-3-5-16(19)10-14/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPYDKZDDPJJXFAG-UHFFFAOYSA-N
XLogP3.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171926
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide
CID 109169452
2-[2-(3-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172481
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165735
N-[2-(3-chlorophenyl)ethyl]-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166354
N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362010
4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109080015
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202931
4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078681
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide (CID 109165762) is N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide is CC(C)CNc1cc(C(=O)NCCc2cccc(Cl)c2)ccn1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide?
The InChIKey is PYDKZDDPJJXFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-13(2)12-22-17-11-15(7-9-20-17)18(23)21-8-6-14-4-3-5-16(19)10-14/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109165762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).