N-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide

C18H18N4O2 — CID 155966987

IUPACN-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCN1CCOc2c(C(=O)NCc3ccc4cncn4c3)cccc21
InChIInChI=1S/C18H18N4O2/c1-21-7-8-24-17-15(3-2-4-16(17)21)18(23)20-9-13-5-6-14-10-19-12-22(14)11-13/h2-6,10-12H,7-9H2,1H3,(H,20,23)
InChIKeyPMFLFDHNIQBHKV-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.09
Rot. Bonds3

About N-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide

N-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 155966987) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
PubChem CID155966987
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCN1CCOc2c(C(=O)NCc3ccc4cncn4c3)cccc21
InChIInChI=1S/C18H18N4O2/c1-21-7-8-24-17-15(3-2-4-16(17)21)18(23)20-9-13-5-6-14-10-19-12-22(14)11-13/h2-6,10-12H,7-9H2,1H3,(H,20,23)
InChIKeyPMFLFDHNIQBHKV-UHFFFAOYSA-N
XLogP2.09
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid
CID 167921077
(E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide
CID 146097994
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 21268047
1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea
CID 164633963
N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701697
6-(4-fluoro-2-methoxyphenyl)-4-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 134805475
N-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 166377580
N-[2-(4-chlorophenyl)ethyl]-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 58601001
methyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate
CID 155353989
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 79531446
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114332154
4-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 67081577

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 155966987) is N-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide is CN1CCOc2c(C(=O)NCc3ccc4cncn4c3)cccc21.
What is the InChIKey of N-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The InChIKey is PMFLFDHNIQBHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21-7-8-24-17-15(3-2-4-16(17)21)18(23)20-9-13-5-6-14-10-19-12-22(14)11-13/h2-6,10-12H,7-9H2,1H3,(H,20,23).
What are the key properties of N-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
N-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 155966987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).