3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide

C14H21N3O — CID 113447750

IUPAC3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ncccc2N)CC1C
InChIInChI=1S/C14H21N3O/c1-9-5-6-11(8-10(9)2)17-14(18)13-12(15)4-3-7-16-13/h3-4,7,9-11H,5-6,8,15H2,1-2H3,(H,17,18)
InChIKeyRHVDRRSBBHBBRU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.22
Rot. Bonds2

About 3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide

3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide (PubChem CID 113447750) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
PubChem CID113447750
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ncccc2N)CC1C
InChIInChI=1S/C14H21N3O/c1-9-5-6-11(8-10(9)2)17-14(18)13-12(15)4-3-7-16-13/h3-4,7,9-11H,5-6,8,15H2,1-2H3,(H,17,18)
InChIKeyRHVDRRSBBHBBRU-UHFFFAOYSA-N
XLogP2.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone
CID 116613730
3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide
CID 104741112
3-amino-N-(1-cyclopropylpiperidin-4-yl)pyridine-2-carboxamide
CID 104741372
6-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 64743995
3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 107519432
3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide
CID 104742549
4-amino-N-(3,4-dimethylcyclohexyl)benzamide
CID 64738901
3-amino-N-(2-tert-butylcyclohexyl)pyridine-2-carboxamide
CID 104741168
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide
CID 105381302
3-(3-aminoprop-1-ynyl)-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 107524869
2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270856

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide (CID 113447750) is 3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide is CC1CCC(NC(=O)c2ncccc2N)CC1C.
What is the InChIKey of 3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is RHVDRRSBBHBBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-5-6-11(8-10(9)2)17-14(18)13-12(15)4-3-7-16-13/h3-4,7,9-11H,5-6,8,15H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide?
3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 113447750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).