4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

C16H25N3O — CID 60962806

IUPAC4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCC(C)N(Cc1cccnc1)C(=O)C1CCC(N)CC1
InChIInChI=1S/C16H25N3O/c1-12(2)19(11-13-4-3-9-18-10-13)16(20)14-5-7-15(17)8-6-14/h3-4,9-10,12,14-15H,5-8,11,17H2,1-2H3
InChIKeyXIGDQGYYJKXWIU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.34
Rot. Bonds4

About 4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 60962806) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID60962806
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCC(C)N(Cc1cccnc1)C(=O)C1CCC(N)CC1
InChIInChI=1S/C16H25N3O/c1-12(2)19(11-13-4-3-9-18-10-13)16(20)14-5-7-15(17)8-6-14/h3-4,9-10,12,14-15H,5-8,11,17H2,1-2H3
InChIKeyXIGDQGYYJKXWIU-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 54873750
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 113307589
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
(2S)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 61164190
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
2-(methylamino)-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62636984
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 61174279
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 156609275
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
(E)-4-oxo-4-[propan-2-yl(pyridin-3-ylmethyl)amino]but-2-enoic acid
CID 39350700

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (CID 60962806) is 4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is CC(C)N(Cc1cccnc1)C(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is XIGDQGYYJKXWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)19(11-13-4-3-9-18-10-13)16(20)14-5-7-15(17)8-6-14/h3-4,9-10,12,14-15H,5-8,11,17H2,1-2H3.
What are the key properties of 4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60962806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).