[3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid

C15H23N3O2 — CID 70654981

IUPAC[3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid
SMILESCC(C)C1CC(NC(=O)O)CC(c2ccncc2N)C1
InChIInChI=1S/C15H23N3O2/c1-9(2)10-5-11(7-12(6-10)18-15(19)20)13-3-4-17-8-14(13)16/h3-4,8-12,18H,5-7,16H2,1-2H3,(H,19,20)
InChIKeyJVYQSYLAYKAINW-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.84
Rot. Bonds3

About [3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid

[3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid (PubChem CID 70654981) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid.

Molecular Properties

Compound Name[3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid
PubChem CID70654981
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid
SMILESCC(C)C1CC(NC(=O)O)CC(c2ccncc2N)C1
InChIInChI=1S/C15H23N3O2/c1-9(2)10-5-11(7-12(6-10)18-15(19)20)13-3-4-17-8-14(13)16/h3-4,8-12,18H,5-7,16H2,1-2H3,(H,19,20)
InChIKeyJVYQSYLAYKAINW-UHFFFAOYSA-N
XLogP2.84
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid
CID 70654626
methane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate
CID 158503670
[(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid
CID 67347099
[1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid
CID 69043410
benzyl N-[(6S,8S,10R)-8-(3-amino-4-pyridinyl)-10-methyl-1,4-dioxaspiro[4.5]decan-6-yl]carbamate
CID 86705287
benzyl N-[(6R,8R,10S)-8-(3-amino-4-pyridinyl)-10-methyl-1,4-dioxaspiro[4.5]decan-6-yl]carbamate
CID 86705288
(3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 105071136
3-methyl-4-(4-propan-2-ylcyclohexyl)pyridine
CID 59352030
tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate
CID 123505509
[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid
CID 70982126
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide
CID 43300055
N-(3-amino-4-pyridinyl)-2-cyclopropylpropanamide
CID 83147600

Frequently Asked Questions

What is the IUPAC name of [3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid?
The IUPAC name of [3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid (CID 70654981) is [3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid.
What is the SMILES notation for [3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid?
The canonical SMILES for [3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid is CC(C)C1CC(NC(=O)O)CC(c2ccncc2N)C1.
What is the InChIKey of [3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid?
The InChIKey is JVYQSYLAYKAINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9(2)10-5-11(7-12(6-10)18-15(19)20)13-3-4-17-8-14(13)16/h3-4,8-12,18H,5-7,16H2,1-2H3,(H,19,20).
What are the key properties of [3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid?
[3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid has a molecular weight of 277.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid is sourced from PubChem (CID 70654981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).