N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

C21H24N4O2 — CID 121339171

IUPACN-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCc1nc2ccccn2c1C(C)(C)NC(=O)c1cccc2c1OCCNC2
InChIInChI=1S/C21H24N4O2/c1-14-19(25-11-5-4-9-17(25)23-14)21(2,3)24-20(26)16-8-6-7-15-13-22-10-12-27-18(15)16/h4-9,11,22H,10,12-13H2,1-3H3,(H,24,26)
InChIKeyBEVSIDFZCHVQFH-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.79
Rot. Bonds3

About N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (PubChem CID 121339171) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
PubChem CID121339171
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCc1nc2ccccn2c1C(C)(C)NC(=O)c1cccc2c1OCCNC2
InChIInChI=1S/C21H24N4O2/c1-14-19(25-11-5-4-9-17(25)23-14)21(2,3)24-20(26)16-8-6-7-15-13-22-10-12-27-18(15)16/h4-9,11,22H,10,12-13H2,1-3H3,(H,24,26)
InChIKeyBEVSIDFZCHVQFH-UHFFFAOYSA-N
XLogP2.79
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The IUPAC name of N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (CID 121339171) is N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.
What is the SMILES notation for N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The canonical SMILES for N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is Cc1nc2ccccn2c1C(C)(C)NC(=O)c1cccc2c1OCCNC2.
What is the InChIKey of N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The InChIKey is BEVSIDFZCHVQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-19(25-11-5-4-9-17(25)23-14)21(2,3)24-20(26)16-8-6-7-15-13-22-10-12-27-18(15)16/h4-9,11,22H,10,12-13H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is sourced from PubChem (CID 121339171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).