3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine

C13H18N4 — CID 79289426

IUPAC3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1CC1CCCCC1
InChIInChI=1S/C13H18N4/c14-13-16-11-7-4-8-15-12(11)17(13)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,14,16)
InChIKeyKLRUEQUBTARSMO-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.59
Rot. Bonds2

About 3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine

3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79289426) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79289426
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1CC1CCCCC1
InChIInChI=1S/C13H18N4/c14-13-16-11-7-4-8-15-12(11)17(13)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,14,16)
InChIKeyKLRUEQUBTARSMO-UHFFFAOYSA-N
XLogP2.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289014
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79289670
3-(cyclohexylmethyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322201
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine
CID 43662069
3-benzylimidazo[4,5-b]pyridin-2-amine
CID 79289249
3-cyclobutylimidazo[4,5-b]pyridin-2-amine
CID 79289020
3-(1,3-thiazol-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79290074
3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine
CID 79289909
2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294526
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine (CID 79289426) is 3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine is Nc1nc2cccnc2n1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is KLRUEQUBTARSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-13-16-11-7-4-8-15-12(11)17(13)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,14,16).
What are the key properties of 3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine?
3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79289426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).