N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide

C16H18ClN3O — CID 62175472

IUPACN-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NC(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClN3O/c1-3-18-14-8-9-19-15(10-14)16(21)20-11(2)12-4-6-13(17)7-5-12/h4-11H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyXUUWXBYQOINTSL-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.66
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide

N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide (PubChem CID 62175472) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide
PubChem CID62175472
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NC(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClN3O/c1-3-18-14-8-9-19-15(10-14)16(21)20-11(2)12-4-6-13(17)7-5-12/h4-11H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyXUUWXBYQOINTSL-UHFFFAOYSA-N
XLogP3.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62173589
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393
N-(3,5-dichlorophenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62172602
4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47161139
N-[4-(dimethylamino)butan-2-yl]-4-(ethylamino)pyridine-2-carboxamide
CID 55046863
N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109210644
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 60739451
4-(furan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109209450
4-(ethylamino)-N-pyrazin-2-ylpyridine-2-carboxamide
CID 62168412
N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203069

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide (CID 62175472) is N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide is CCNc1ccnc(C(=O)NC(C)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide?
The InChIKey is XUUWXBYQOINTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-18-14-8-9-19-15(10-14)16(21)20-11(2)12-4-6-13(17)7-5-12/h4-11H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62175472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).