N-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide

C14H21N3O — CID 106826116

IUPACN-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
SMILESCc1cc(N)cnc1NC(=O)C1(C)CCCCC1
InChIInChI=1S/C14H21N3O/c1-10-8-11(15)9-16-12(10)17-13(18)14(2)6-4-3-5-7-14/h8-9H,3-7,15H2,1-2H3,(H,16,17,18)
InChIKeyYJHROEIDJWIQHW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.88
Rot. Bonds2

About N-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide

N-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106826116) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
PubChem CID106826116
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
SMILESCc1cc(N)cnc1NC(=O)C1(C)CCCCC1
InChIInChI=1S/C14H21N3O/c1-10-8-11(15)9-16-12(10)17-13(18)14(2)6-4-3-5-7-14/h8-9H,3-7,15H2,1-2H3,(H,16,17,18)
InChIKeyYJHROEIDJWIQHW-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide (CID 106826116) is N-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide is Cc1cc(N)cnc1NC(=O)C1(C)CCCCC1.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is YJHROEIDJWIQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-11(15)9-16-12(10)17-13(18)14(2)6-4-3-5-7-14/h8-9H,3-7,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide?
N-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106826116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).