6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide

C14H17N7O2 — CID 134076092

IUPAC6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESNC(=O)N1Cc2nccn2CC(CNC(=O)c2cnccn2)C1
InChIInChI=1S/C14H17N7O2/c15-14(23)21-8-10(7-20-4-3-18-12(20)9-21)5-19-13(22)11-6-16-1-2-17-11/h1-4,6,10H,5,7-9H2,(H2,15,23)(H,19,22)
InChIKeyUAHPGTVWMUCLIK-UHFFFAOYSA-N
MW315.34 g/mol
LogP-0.39
Rot. Bonds3

About 6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide

6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (PubChem CID 134076092) has the molecular formula C14H17N7O2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.

Molecular Properties

Compound Name6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
PubChem CID134076092
Molecular FormulaC14H17N7O2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESNC(=O)N1Cc2nccn2CC(CNC(=O)c2cnccn2)C1
InChIInChI=1S/C14H17N7O2/c15-14(23)21-8-10(7-20-4-3-18-12(20)9-21)5-19-13(22)11-6-16-1-2-17-11/h1-4,6,10H,5,7-9H2,(H2,15,23)(H,19,22)
InChIKeyUAHPGTVWMUCLIK-UHFFFAOYSA-N
XLogP-0.39
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide
CID 121229452
N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide
CID 75367236
[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrazin-2-ylmethanone
CID 97462351
N-(azetidin-3-ylmethyl)pyrazine-2-carboxamide
CID 127017038
1-[[8-(pyrazine-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 131640521
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide
CID 133141737
N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 95228903
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
N-(2-amino-2-oxoethyl)pyrazine-2-carboxamide
CID 14101204
(6R)-N-propan-2-yl-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 97462500
2-methoxy-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 118739329

Frequently Asked Questions

What is the IUPAC name of 6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The IUPAC name of 6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (CID 134076092) is 6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.
What is the SMILES notation for 6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The canonical SMILES for 6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is NC(=O)N1Cc2nccn2CC(CNC(=O)c2cnccn2)C1.
What is the InChIKey of 6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The InChIKey is UAHPGTVWMUCLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O2/c15-14(23)21-8-10(7-20-4-3-18-12(20)9-21)5-19-13(22)11-6-16-1-2-17-11/h1-4,6,10H,5,7-9H2,(H2,15,23)(H,19,22).
What are the key properties of 6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide has a molecular weight of 315.34 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is sourced from PubChem (CID 134076092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).