(2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide

C19H28N4O2 — CID 121346560

IUPAC(2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide
SMILESCc1cccn2c(C(C)(CC(C)C)NC(=O)[C@@H]3CNCCO3)ncc12
InChIInChI=1S/C19H28N4O2/c1-13(2)10-19(4,22-17(24)16-12-20-7-9-25-16)18-21-11-15-14(3)6-5-8-23(15)18/h5-6,8,11,13,16,20H,7,9-10,12H2,1-4H3,(H,22,24)/t16-,19?/m0/s1
InChIKeyORFFERULYZTZIL-UCFFOFKASA-N
MW344.46 g/mol
LogP2.01
Rot. Bonds5

About (2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide

(2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide (PubChem CID 121346560) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide
PubChem CID121346560
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide
SMILESCc1cccn2c(C(C)(CC(C)C)NC(=O)[C@@H]3CNCCO3)ncc12
InChIInChI=1S/C19H28N4O2/c1-13(2)10-19(4,22-17(24)16-12-20-7-9-25-16)18-21-11-15-14(3)6-5-8-23(15)18/h5-6,8,11,13,16,20H,7,9-10,12H2,1-4H3,(H,22,24)/t16-,19?/m0/s1
InChIKeyORFFERULYZTZIL-UCFFOFKASA-N
XLogP2.01
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide (CID 121346560) is (2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide is Cc1cccn2c(C(C)(CC(C)C)NC(=O)[C@@H]3CNCCO3)ncc12.
What is the InChIKey of (2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide?
The InChIKey is ORFFERULYZTZIL-UCFFOFKASA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(2)10-19(4,22-17(24)16-12-20-7-9-25-16)18-21-11-15-14(3)6-5-8-23(15)18/h5-6,8,11,13,16,20H,7,9-10,12H2,1-4H3,(H,22,24)/t16-,19?/m0/s1.
What are the key properties of (2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide?
(2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 121346560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).