N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide

C16H24N4O — CID 62181706

IUPACN-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)N(CCC#N)CC(C)C)c1
InChIInChI=1S/C16H24N4O/c1-4-8-18-14-6-9-19-15(11-14)16(21)20(10-5-7-17)12-13(2)3/h6,9,11,13H,4-5,8,10,12H2,1-3H3,(H,18,19)
InChIKeyMAOKKPGFWRUYHU-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.92
Rot. Bonds8

About N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide

N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide (PubChem CID 62181706) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
PubChem CID62181706
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)N(CCC#N)CC(C)C)c1
InChIInChI=1S/C16H24N4O/c1-4-8-18-14-6-9-19-15(11-14)16(21)20(10-5-7-17)12-13(2)3/h6,9,11,13H,4-5,8,10,12H2,1-3H3,(H,18,19)
InChIKeyMAOKKPGFWRUYHU-UHFFFAOYSA-N
XLogP2.92
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide
CID 62180118
N-(2-cyanoethyl)-4-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 63286908
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 79386430
N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide
CID 106222471
N-(cyclopropylmethyl)-N-ethyl-4-(propylamino)pyridine-2-carboxamide
CID 63939735
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
N-[2-(dimethylamino)propyl]-4-(propylamino)pyridine-2-carboxamide
CID 55047383
6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62160013
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
N,N-diethyl-4-[[2-methyl-3-(methylamino)propyl]amino]pyridine-2-carboxamide
CID 115303183

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide (CID 62181706) is N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)N(CCC#N)CC(C)C)c1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is MAOKKPGFWRUYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-8-18-14-6-9-19-15(11-14)16(21)20(10-5-7-17)12-13(2)3/h6,9,11,13H,4-5,8,10,12H2,1-3H3,(H,18,19).
What are the key properties of N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide?
N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62181706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).