N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide

C14H23N3O — CID 105068541

IUPACN-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(CC)C(C)C
InChIInChI=1S/C14H23N3O/c1-5-8-16-13-10-15-9-7-12(13)14(18)17(6-2)11(3)4/h7,9-11,16H,5-6,8H2,1-4H3
InChIKeyZLCNDUOWYZKDSB-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.77
Rot. Bonds6

About N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide

N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105068541) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide
PubChem CID105068541
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(CC)C(C)C
InChIInChI=1S/C14H23N3O/c1-5-8-16-13-10-15-9-7-12(13)14(18)17(6-2)11(3)4/h7,9-11,16H,5-6,8H2,1-4H3
InChIKeyZLCNDUOWYZKDSB-UHFFFAOYSA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937503
N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071302
N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937266
N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071339
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068732
N-(cyclopropylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068880
N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)pyridine-4-carboxamide
CID 105070967
N-(2-methylpentan-3-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105069100
N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068056
N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 107201068
N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 106342677
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide (CID 105068541) is N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)N(CC)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is ZLCNDUOWYZKDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-8-16-13-10-15-9-7-12(13)14(18)17(6-2)11(3)4/h7,9-11,16H,5-6,8H2,1-4H3.
What are the key properties of N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide?
N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105068541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).