5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide

C16H24ClN3O — CID 63499570

IUPAC5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)NCC2CCC(C)CC2)cc1Cl
InChIInChI=1S/C16H24ClN3O/c1-3-18-15-14(17)8-13(10-19-15)16(21)20-9-12-6-4-11(2)5-7-12/h8,10-12H,3-7,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyZCVSOEOXJBQKQM-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.72
Rot. Bonds5

About 5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide

5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 63499570) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID63499570
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)NCC2CCC(C)CC2)cc1Cl
InChIInChI=1S/C16H24ClN3O/c1-3-18-15-14(17)8-13(10-19-15)16(21)20-9-12-6-4-11(2)5-7-12/h8,10-12H,3-7,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyZCVSOEOXJBQKQM-UHFFFAOYSA-N
XLogP3.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 107412465
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 63684481
N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62176364
5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63482413
5-chloro-6-(ethylamino)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071772
5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(ethylamino)pyridine-3-carboxamide
CID 64522048
5-chloro-6-(ethylamino)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62171335
5-chloro-N-cyclopropyl-N-ethyl-6-(ethylamino)pyridine-3-carboxamide
CID 62169291
5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 106000787
5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 62180970
[5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968832
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172223

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide (CID 63499570) is 5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide is CCNc1ncc(C(=O)NCC2CCC(C)CC2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is ZCVSOEOXJBQKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-18-15-14(17)8-13(10-19-15)16(21)20-9-12-6-4-11(2)5-7-12/h8,10-12H,3-7,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide?
5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 63499570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).