4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide

C13H21N5O2 — CID 133443122

IUPAC4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide
SMILESCC(C)Oc1nccnc1N1CCCN(C(N)=O)CC1
InChIInChI=1S/C13H21N5O2/c1-10(2)20-12-11(15-4-5-16-12)17-6-3-7-18(9-8-17)13(14)19/h4-5,10H,3,6-9H2,1-2H3,(H2,14,19)
InChIKeyYQSVVSAEGKVRGJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.85
Rot. Bonds3

About 4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide

4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide (PubChem CID 133443122) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide
PubChem CID133443122
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide
SMILESCC(C)Oc1nccnc1N1CCCN(C(N)=O)CC1
InChIInChI=1S/C13H21N5O2/c1-10(2)20-12-11(15-4-5-16-12)17-6-3-7-18(9-8-17)13(14)19/h4-5,10H,3,6-9H2,1-2H3,(H2,14,19)
InChIKeyYQSVVSAEGKVRGJ-UHFFFAOYSA-N
XLogP0.85
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 133442979
(4-methylpiperidin-1-yl)-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]methanone
CID 133442490
2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide
CID 75522922
1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile
CID 133469208
4-(5-bromopyrimidin-4-yl)-1,4-diazepane-1-carboxamide
CID 146090139
1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone
CID 134122695
1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea
CID 133468525
2-methyl-N-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]benzamide
CID 133442168
(3R)-3-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 94028864
1-(4-phenylpiperazin-1-yl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanone
CID 133469022
tert-butyl 4-(3-cyanopyrazin-2-yl)-1,4-diazepane-1-carboxylate
CID 133283889
propan-2-yl 2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 133471016

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide (CID 133443122) is 4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide is CC(C)Oc1nccnc1N1CCCN(C(N)=O)CC1.
What is the InChIKey of 4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide?
The InChIKey is YQSVVSAEGKVRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-10(2)20-12-11(15-4-5-16-12)17-6-3-7-18(9-8-17)13(14)19/h4-5,10H,3,6-9H2,1-2H3,(H2,14,19).
What are the key properties of 4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide?
4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 133443122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).