N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C20H34N4O3 — CID 58054200

IUPACN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1nc(CCC(C)(C)O)n2c1CCCC2)C(C)(C)C
InChIInChI=1S/C20H34N4O3/c1-19(2,3)16(18(26)21-6)23-17(25)15-13-9-7-8-12-24(13)14(22-15)10-11-20(4,5)27/h16,27H,7-12H2,1-6H3,(H,21,26)(H,23,25)/t16-/m1/s1
InChIKeyMCFRRBBBEMOURK-MRXNPFEDSA-N
MW378.52 g/mol
LogP1.81
Rot. Bonds6

About N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 58054200) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID58054200
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1nc(CCC(C)(C)O)n2c1CCCC2)C(C)(C)C
InChIInChI=1S/C20H34N4O3/c1-19(2,3)16(18(26)21-6)23-17(25)15-13-9-7-8-12-24(13)14(22-15)10-11-20(4,5)27/h16,27H,7-12H2,1-6H3,(H,21,26)(H,23,25)/t16-/m1/s1
InChIKeyMCFRRBBBEMOURK-MRXNPFEDSA-N
XLogP1.81
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 58054200) is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CNC(=O)[C@@H](NC(=O)c1nc(CCC(C)(C)O)n2c1CCCC2)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is MCFRRBBBEMOURK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-19(2,3)16(18(26)21-6)23-17(25)15-13-9-7-8-12-24(13)14(22-15)10-11-20(4,5)27/h16,27H,7-12H2,1-6H3,(H,21,26)(H,23,25)/t16-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 58054200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).