1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide

C17H25N3O — CID 64551877

IUPAC1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(Cc2ccccn2)C2CC2)C1
InChIInChI=1S/C17H25N3O/c1-13-5-4-9-17(18,11-13)16(21)20(15-7-8-15)12-14-6-2-3-10-19-14/h2-3,6,10,13,15H,4-5,7-9,11-12,18H2,1H3
InChIKeyJYPROHPUPHQIBJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.48
Rot. Bonds4

About 1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide

1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 64551877) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID64551877
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(Cc2ccccn2)C2CC2)C1
InChIInChI=1S/C17H25N3O/c1-13-5-4-9-17(18,11-13)16(21)20(15-7-8-15)12-14-6-2-3-10-19-14/h2-3,6,10,13,15H,4-5,7-9,11-12,18H2,1H3
InChIKeyJYPROHPUPHQIBJ-UHFFFAOYSA-N
XLogP2.48
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64554250
2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid
CID 64552528
1-amino-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 65466995
1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide
CID 54872425
1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 60947405
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551039
ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020
cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 94822499
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781
3-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 62670174
1-amino-N-benzyl-N-(cyanomethyl)-3-methylcyclohexane-1-carboxamide
CID 64554419

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide (CID 64551877) is 1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)N(Cc2ccccn2)C2CC2)C1.
What is the InChIKey of 1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is JYPROHPUPHQIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-5-4-9-17(18,11-13)16(21)20(15-7-8-15)12-14-6-2-3-10-19-14/h2-3,6,10,13,15H,4-5,7-9,11-12,18H2,1H3.
What are the key properties of 1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 287.41 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-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64551877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).