N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide

C16H18ClN3O — CID 81238108

IUPACN-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O/c1-3-19-15-8-9-18-10-13(15)16(21)20-11(2)12-6-4-5-7-14(12)17/h4-11H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyVCNBXJPKNVYRPU-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.66
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide

N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide (PubChem CID 81238108) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide
PubChem CID81238108
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O/c1-3-19-15-8-9-18-10-13(15)16(21)20-11(2)12-6-4-5-7-14(12)17/h4-11H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyVCNBXJPKNVYRPU-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

4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067
4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 81236752
4-(ethylamino)-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 81242327
N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103094868
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 81379610
4-(ethylamino)-N-(4-methylhexan-2-yl)pyridine-3-carboxamide
CID 81245539
4-(ethylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 81240259
3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 81239560
3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide
CID 103606462
N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81246052
3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 66462846

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide (CID 81238108) is N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide is CCNc1ccncc1C(=O)NC(C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide?
The InChIKey is VCNBXJPKNVYRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-19-15-8-9-18-10-13(15)16(21)20-11(2)12-6-4-5-7-14(12)17/h4-11H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-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-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81238108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).