2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide

C14H21N3O — CID 64822512

IUPAC2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
SMILESCc1cccnc1CNC(=O)C1CCCCC1N
InChIInChI=1S/C14H21N3O/c1-10-5-4-8-16-13(10)9-17-14(18)11-6-2-3-7-12(11)15/h4-5,8,11-12H,2-3,6-7,9,15H2,1H3,(H,17,18)
InChIKeyVSJGGWZTBQVSGY-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.52
Rot. Bonds3

About 2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide

2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide (PubChem CID 64822512) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
PubChem CID64822512
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
SMILESCc1cccnc1CNC(=O)C1CCCCC1N
InChIInChI=1S/C14H21N3O/c1-10-5-4-8-16-13(10)9-17-14(18)11-6-2-3-7-12(11)15/h4-5,8,11-12H,2-3,6-7,9,15H2,1H3,(H,17,18)
InChIKeyVSJGGWZTBQVSGY-UHFFFAOYSA-N
XLogP1.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-[(3-methyl-2-pyridinyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526857
trans-(1R,2R)-N-[(3-methyl-2-pyridinyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526858
4-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784717
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 64824935
1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869384
2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815795
2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 82732011
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxamide
CID 107068180
2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835828
2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 114110923
N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869411
4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 66257562

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide (CID 64822512) is 2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide is Cc1cccnc1CNC(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is VSJGGWZTBQVSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-5-4-8-16-13(10)9-17-14(18)11-6-2-3-7-12(11)15/h4-5,8,11-12H,2-3,6-7,9,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide?
2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64822512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).