1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide

C16H25N3O — CID 60947405

IUPAC1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCC(C)N(Cc1ccccn1)C(=O)C1(N)CCCCC1
InChIInChI=1S/C16H25N3O/c1-13(2)19(12-14-8-4-7-11-18-14)15(20)16(17)9-5-3-6-10-16/h4,7-8,11,13H,3,5-6,9-10,12,17H2,1-2H3
InChIKeyLIQMHPWHCDYDSV-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.48
Rot. Bonds4

About 1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide

1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 60947405) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID60947405
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCC(C)N(Cc1ccccn1)C(=O)C1(N)CCCCC1
InChIInChI=1S/C16H25N3O/c1-13(2)19(12-14-8-4-7-11-18-14)15(20)16(17)9-5-3-6-10-16/h4,7-8,11,13H,3,5-6,9-10,12,17H2,1-2H3
InChIKeyLIQMHPWHCDYDSV-UHFFFAOYSA-N
XLogP2.48
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide
CID 54872425
1-amino-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 65466995
1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 64551877
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butanamide
CID 103929297
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 51088401
cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378868
1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991
1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 43565091
3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 62964578
4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide (CID 60947405) is 1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide is CC(C)N(Cc1ccccn1)C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is LIQMHPWHCDYDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)19(12-14-8-4-7-11-18-14)15(20)16(17)9-5-3-6-10-16/h4,7-8,11,13H,3,5-6,9-10,12,17H2,1-2H3.
What are the key properties of 1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60947405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).