1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide

C14H17N5O2 — CID 154866640

IUPAC1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C)c3ncccc3C2)on1
InChIInChI=1S/C14H17N5O2/c1-10-8-12(21-17-10)16-14(20)19-7-6-18(2)13-11(9-19)4-3-5-15-13/h3-5,8H,6-7,9H2,1-2H3,(H,16,20)
InChIKeyGVJGEFLSRXDFLS-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.86
Rot. Bonds1

About 1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide

1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide (PubChem CID 154866640) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide
PubChem CID154866640
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C)c3ncccc3C2)on1
InChIInChI=1S/C14H17N5O2/c1-10-8-12(21-17-10)16-14(20)19-7-6-18(2)13-11(9-19)4-3-5-15-13/h3-5,8H,6-7,9H2,1-2H3,(H,16,20)
InChIKeyGVJGEFLSRXDFLS-UHFFFAOYSA-N
XLogP1.86
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(3-methyl-1,2-oxazol-5-yl)morpholine-4-carboxamide
CID 115603435
(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-(3-methylthiophen-2-yl)methanone
CID 97468896
N-(3-methyl-1,2-oxazol-5-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxamide
CID 154864005
N-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]piperidin-4-yl]pyridine-4-carboxamide
CID 167954950
1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
CID 136565717
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-methyl-1,2-oxazol-5-yl)piperazine-1-carboxamide
CID 51107485
2,4-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)piperazine-1-carboxamide
CID 71877060
[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97469010
3,5-dimethyl-4-[(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methyl]-1,2-oxazole
CID 97468882
(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111023
ethane;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 143469071
N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide?
The IUPAC name of 1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide (CID 154866640) is 1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide is Cc1cc(NC(=O)N2CCN(C)c3ncccc3C2)on1.
What is the InChIKey of 1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide?
The InChIKey is GVJGEFLSRXDFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-8-12(21-17-10)16-14(20)19-7-6-18(2)13-11(9-19)4-3-5-15-13/h3-5,8H,6-7,9H2,1-2H3,(H,16,20).
What are the key properties of 1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide?
1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methyl-1,2-oxazol-5-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide is sourced from PubChem (CID 154866640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).