N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide

C17H27N3O — CID 63498977

IUPACN-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NC2CCC(CC)CC2)c1
InChIInChI=1S/C17H27N3O/c1-3-10-18-15-9-11-19-16(12-15)17(21)20-14-7-5-13(4-2)6-8-14/h9,11-14H,3-8,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeySTUPHZACMTUONK-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.60
Rot. Bonds6

About N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide

N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide (PubChem CID 63498977) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide
PubChem CID63498977
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NC2CCC(CC)CC2)c1
InChIInChI=1S/C17H27N3O/c1-3-10-18-15-9-11-19-16(12-15)17(21)20-14-7-5-13(4-2)6-8-14/h9,11-14H,3-8,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeySTUPHZACMTUONK-UHFFFAOYSA-N
XLogP3.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-4-(propylamino)pyridine-2-carboxamide
CID 55046881
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109201692
N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide
CID 62169677
N-(2-oxopiperidin-3-yl)-4-(propylamino)pyridine-2-carboxamide
CID 62180055
N-cyclopropyl-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109201706
4-(methylamino)-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 55042259
N-(cyclopropylmethyl)-N-ethyl-4-(propylamino)pyridine-2-carboxamide
CID 63939735
N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109207939
N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356
N-cyclopropyl-4-(diethylamino)pyridine-2-carboxamide
CID 109201751
N-cyclopropyl-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109201702

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide (CID 63498977) is N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)NC2CCC(CC)CC2)c1.
What is the InChIKey of N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is STUPHZACMTUONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-10-18-15-9-11-19-16(12-15)17(21)20-14-7-5-13(4-2)6-8-14/h9,11-14H,3-8,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide?
N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 63498977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).