3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide

C18H22N6O2 — CID 157480379

IUPAC3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide
SMILESNCCCNC(=O)Nc1nccnc1C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C18H22N6O2/c19-6-3-7-22-18(26)24-16-15(20-8-9-21-16)17(25)23-14-10-12-4-1-2-5-13(12)11-14/h1-2,4-5,8-9,14H,3,6-7,10-11,19H2,(H,23,25)(H2,21,22,24,26)
InChIKeyYHDOMDDHJDGMLA-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.84
Rot. Bonds6

About 3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide

3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide (PubChem CID 157480379) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide
PubChem CID157480379
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide
SMILESNCCCNC(=O)Nc1nccnc1C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C18H22N6O2/c19-6-3-7-22-18(26)24-16-15(20-8-9-21-16)17(25)23-14-10-12-4-1-2-5-13(12)11-14/h1-2,4-5,8-9,14H,3,6-7,10-11,19H2,(H,23,25)(H2,21,22,24,26)
InChIKeyYHDOMDDHJDGMLA-UHFFFAOYSA-N
XLogP0.84
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide (CID 157480379) is 3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide is NCCCNC(=O)Nc1nccnc1C(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide?
The InChIKey is YHDOMDDHJDGMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c19-6-3-7-22-18(26)24-16-15(20-8-9-21-16)17(25)23-14-10-12-4-1-2-5-13(12)11-14/h1-2,4-5,8-9,14H,3,6-7,10-11,19H2,(H,23,25)(H2,21,22,24,26).
What are the key properties of 3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide?
3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 0.84, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 157480379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).