N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide

C15H21N3O — CID 106231329

IUPACN,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide
SMILESC#CC(CC)Nc1ccnc(C(=O)N(CC)CC)c1
InChIInChI=1S/C15H21N3O/c1-5-12(6-2)17-13-9-10-16-14(11-13)15(19)18(7-3)8-4/h1,9-12H,6-8H2,2-4H3,(H,16,17)
InChIKeyCQFPHBORSJELLK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.39
Rot. Bonds6

About N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide

N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide (PubChem CID 106231329) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide
PubChem CID106231329
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide
SMILESC#CC(CC)Nc1ccnc(C(=O)N(CC)CC)c1
InChIInChI=1S/C15H21N3O/c1-5-12(6-2)17-13-9-10-16-14(11-13)15(19)18(7-3)8-4/h1,9-12H,6-8H2,2-4H3,(H,16,17)
InChIKeyCQFPHBORSJELLK-UHFFFAOYSA-N
XLogP2.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 43517392
4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 55228575
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide
CID 106222471
methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate
CID 62006426
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
2-chloro-N-pent-1-yn-3-ylpyridin-4-amine
CID 106232773
2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
CID 65226330
4-(hex-1-yn-3-ylamino)-N-methylpyridine-2-carboxamide
CID 114161466
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid
CID 115572227
4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395737
4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
CID 66175860

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide (CID 106231329) is N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide is C#CC(CC)Nc1ccnc(C(=O)N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide?
The InChIKey is CQFPHBORSJELLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-12(6-2)17-13-9-10-16-14(11-13)15(19)18(7-3)8-4/h1,9-12H,6-8H2,2-4H3,(H,16,17).
What are the key properties of N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide?
N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 106231329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).