N-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide

C16H25N3O — CID 81240350

IUPACN-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCCC1CCC(N(C)C(=O)c2cnccc2NC)CC1
InChIInChI=1S/C16H25N3O/c1-4-12-5-7-13(8-6-12)19(3)16(20)14-11-18-10-9-15(14)17-2/h9-13H,4-8H2,1-3H3,(H,17,18)
InChIKeyJROBULADOXAPOD-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.16
Rot. Bonds4

About N-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide

N-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81240350) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
PubChem CID81240350
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCCC1CCC(N(C)C(=O)c2cnccc2NC)CC1
InChIInChI=1S/C16H25N3O/c1-4-12-5-7-13(8-6-12)19(3)16(20)14-11-18-10-9-15(14)17-2/h9-13H,4-8H2,1-3H3,(H,17,18)
InChIKeyJROBULADOXAPOD-UHFFFAOYSA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 81243241
N-cyclopentyl-N-ethyl-4-(methylamino)pyridine-3-carboxamide
CID 81242486
N-(4-ethylcyclohexyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069028
N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071339
N-cyclopropyl-3-(methylamino)-N-propylpyridine-4-carboxamide
CID 105068558
N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105070225
5-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 54948229
N-(4-aminocyclohexyl)-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81446362
N-cyclobutyl-3-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105072506
N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-4-carboxamide
CID 66484013
N-(3-ethylcyclohexyl)-4-(methylamino)pyridine-3-carboxamide
CID 81244940
N-(2-hydroxypropyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81240291

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide (CID 81240350) is N-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide is CCC1CCC(N(C)C(=O)c2cnccc2NC)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is JROBULADOXAPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-12-5-7-13(8-6-12)19(3)16(20)14-11-18-10-9-15(14)17-2/h9-13H,4-8H2,1-3H3,(H,17,18).
What are the key properties of N-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide?
N-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81240350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).