2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide

C15H23N3O — CID 114932391

IUPAC2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2CCCCCC2N)c1
InChIInChI=1S/C15H23N3O/c1-10-8-11(2)17-14(9-10)18-15(19)12-6-4-3-5-7-13(12)16/h8-9,12-13H,3-7,16H2,1-2H3,(H,17,18,19)
InChIKeyVPXUMHPMXIKJBK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.54
Rot. Bonds2

About 2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide

2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide (PubChem CID 114932391) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide
PubChem CID114932391
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2CCCCCC2N)c1
InChIInChI=1S/C15H23N3O/c1-10-8-11(2)17-14(9-10)18-15(19)12-6-4-3-5-7-13(12)16/h8-9,12-13H,3-7,16H2,1-2H3,(H,17,18,19)
InChIKeyVPXUMHPMXIKJBK-UHFFFAOYSA-N
XLogP2.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,4R)-N-(4,6-dimethyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98278427
(1R,2S,4R)-N-(4,6-dimethyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98278428
N-(4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide
CID 115976769
N-(4,6-dimethyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
CID 113357303
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclopentane-1-carboxamide
CID 107600178
N-(4,6-dimethyl-2-pyridinyl)pyrazolidine-3-carboxamide
CID 123941964
2-amino-N-(2-methylquinolin-4-yl)cyclopentane-1-carboxamide
CID 64817916
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
CID 104617966
2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide
CID 64822911
2-amino-N-(2-methyl-4-pyridinyl)cyclopentane-1-carboxamide
CID 79240939
2-amino-N-(2,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 64816599

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide (CID 114932391) is 2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide is Cc1cc(C)nc(NC(=O)C2CCCCCC2N)c1.
What is the InChIKey of 2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide?
The InChIKey is VPXUMHPMXIKJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-8-11(2)17-14(9-10)18-15(19)12-6-4-3-5-7-13(12)16/h8-9,12-13H,3-7,16H2,1-2H3,(H,17,18,19).
What are the key properties of 2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide?
2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 114932391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).