N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide

C17H20ClN3O — CID 109179720

IUPACN-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)Nc1ccc(C(=O)NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C17H20ClN3O/c1-12(2)21-15-6-7-16(20-11-15)17(22)19-9-8-13-4-3-5-14(18)10-13/h3-7,10-12,21H,8-9H2,1-2H3,(H,19,22)
InChIKeyWMEATKWSLMYRJU-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide

N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 109179720) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID109179720
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)Nc1ccc(C(=O)NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C17H20ClN3O/c1-12(2)21-15-6-7-16(20-11-15)17(22)19-9-8-13-4-3-5-14(18)10-13/h3-7,10-12,21H,8-9H2,1-2H3,(H,19,22)
InChIKeyWMEATKWSLMYRJU-UHFFFAOYSA-N
XLogP3.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180508
N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 113200400
N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide
CID 109196611
N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 129316266
5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189383
5-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641105
N-[2-(3-chlorophenyl)ethyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210794
5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109181634
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
5-[2-(3-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109182977
N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256521
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]-5-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide (CID 109179720) is N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide is CC(C)Nc1ccc(C(=O)NCCc2cccc(Cl)c2)nc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is WMEATKWSLMYRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12(2)21-15-6-7-16(20-11-15)17(22)19-9-8-13-4-3-5-14(18)10-13/h3-7,10-12,21H,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.53, 6 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]-5-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109179720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).