N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide

C15H21N3O — CID 106222471

IUPACN,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide
SMILESC#CCCCNc1ccnc(C(=O)N(CC)CC)c1
InChIInChI=1S/C15H21N3O/c1-4-7-8-10-16-13-9-11-17-14(12-13)15(19)18(5-2)6-3/h1,9,11-12H,5-8,10H2,2-3H3,(H,16,17)
InChIKeyYBKMTBFFSNLDPE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.39
Rot. Bonds7

About N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide

N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide (PubChem CID 106222471) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide
PubChem CID106222471
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide
SMILESC#CCCCNc1ccnc(C(=O)N(CC)CC)c1
InChIInChI=1S/C15H21N3O/c1-4-7-8-10-16-13-9-11-17-14(12-13)15(19)18(5-2)6-3/h1,9,11-12H,5-8,10H2,2-3H3,(H,16,17)
InChIKeyYBKMTBFFSNLDPE-UHFFFAOYSA-N
XLogP2.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 79386430
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 114384362
N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide
CID 106231329
4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
CID 66175860
N-(cyclopropylmethyl)-N-ethyl-4-(propylamino)pyridine-2-carboxamide
CID 63939735
4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109216384
N,N-diethyl-4-[(1-methylcyclopropyl)amino]pyridine-2-carboxamide
CID 113485597
N,N-diethyl-4-[[2-methyl-3-(methylamino)propyl]amino]pyridine-2-carboxamide
CID 115303183
N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide
CID 106290832

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide (CID 106222471) is N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide is C#CCCCNc1ccnc(C(=O)N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide?
The InChIKey is YBKMTBFFSNLDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-7-8-10-16-13-9-11-17-14(12-13)15(19)18(5-2)6-3/h1,9,11-12H,5-8,10H2,2-3H3,(H,16,17).
What are the key properties of N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide?
N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.39, 7 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-4-ynylamino)pyridine-2-carboxamide is sourced from PubChem (CID 106222471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).