(2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide

C18H30N4O — CID 97091890

IUPAC(2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide
SMILESCC1CCC(NC(=O)[C@@H](C)NC[C@@H]2CCCn3ccnc32)CC1
InChIInChI=1S/C18H30N4O/c1-13-5-7-16(8-6-13)21-18(23)14(2)20-12-15-4-3-10-22-11-9-19-17(15)22/h9,11,13-16,20H,3-8,10,12H2,1-2H3,(H,21,23)/t13?,14-,15+,16?/m1/s1
InChIKeySGOLMYORLCTRJY-FYRZTWFESA-N
MW318.46 g/mol
LogP2.43
Rot. Bonds5

About (2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide

(2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide (PubChem CID 97091890) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is (2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide
PubChem CID97091890
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name(2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide
SMILESCC1CCC(NC(=O)[C@@H](C)NC[C@@H]2CCCn3ccnc32)CC1
InChIInChI=1S/C18H30N4O/c1-13-5-7-16(8-6-13)21-18(23)14(2)20-12-15-4-3-10-22-11-9-19-17(15)22/h9,11,13-16,20H,3-8,10,12H2,1-2H3,(H,21,23)/t13?,14-,15+,16?/m1/s1
InChIKeySGOLMYORLCTRJY-FYRZTWFESA-N
XLogP2.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide?
The IUPAC name of (2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide (CID 97091890) is (2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide.
What is the SMILES notation for (2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide?
The canonical SMILES for (2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide is CC1CCC(NC(=O)[C@@H](C)NC[C@@H]2CCCn3ccnc32)CC1.
What is the InChIKey of (2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide?
The InChIKey is SGOLMYORLCTRJY-FYRZTWFESA-N. The full InChI is InChI=1S/C18H30N4O/c1-13-5-7-16(8-6-13)21-18(23)14(2)20-12-15-4-3-10-22-11-9-19-17(15)22/h9,11,13-16,20H,3-8,10,12H2,1-2H3,(H,21,23)/t13?,14-,15+,16?/m1/s1.
What are the key properties of (2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide?
(2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide has a molecular weight of 318.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methylcyclohexyl)-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide is sourced from PubChem (CID 97091890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).