N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide

C16H20N4O — CID 106937503

IUPACN-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(CC)c1ccncc1
InChIInChI=1S/C16H20N4O/c1-3-8-19-15-12-18-11-7-14(15)16(21)20(4-2)13-5-9-17-10-6-13/h5-7,9-12,19H,3-4,8H2,1-2H3
InChIKeyWQSXULZIENJIJS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.97
Rot. Bonds6

About N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide

N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide (PubChem CID 106937503) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
PubChem CID106937503
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(CC)c1ccncc1
InChIInChI=1S/C16H20N4O/c1-3-8-19-15-12-18-11-7-14(15)16(21)20(4-2)13-5-9-17-10-6-13/h5-7,9-12,19H,3-4,8H2,1-2H3
InChIKeyWQSXULZIENJIJS-UHFFFAOYSA-N
XLogP2.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937266
N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide
CID 105068541
N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071339
N-(cyclopropylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068880
N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105069128
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071302
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-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-(3-methoxypropyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105069961
N-(cyclopentylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070142

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide (CID 106937503) is N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide is CCCNc1cnccc1C(=O)N(CC)c1ccncc1.
What is the InChIKey of N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide?
The InChIKey is WQSXULZIENJIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-8-19-15-12-18-11-7-14(15)16(21)20(4-2)13-5-9-17-10-6-13/h5-7,9-12,19H,3-4,8H2,1-2H3.
What are the key properties of N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide?
N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 106937503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).