6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide

C12H17ClN4O — CID 114035318

IUPAC6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide
SMILESCC(CN1CCCC1)NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H17ClN4O/c1-9(8-17-4-2-3-5-17)15-12(18)10-6-14-7-11(13)16-10/h6-7,9H,2-5,8H2,1H3,(H,15,18)
InChIKeyZCOZUKCLWGRRFB-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.34
Rot. Bonds4

About 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide

6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide (PubChem CID 114035318) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide
PubChem CID114035318
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide
SMILESCC(CN1CCCC1)NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H17ClN4O/c1-9(8-17-4-2-3-5-17)15-12(18)10-6-14-7-11(13)16-10/h6-7,9H,2-5,8H2,1H3,(H,15,18)
InChIKeyZCOZUKCLWGRRFB-UHFFFAOYSA-N
XLogP1.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 106551541
2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 61217354
5-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 104641051
5-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyrazine-2-carboxamide
CID 107375348
6-chloro-N-(1-cyclohexylethyl)pyrazine-2-carboxamide
CID 106551401
6-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrazin-2-amine
CID 62992157
2-chloro-N-(1-piperidin-1-ylpropan-2-yl)furan-3-carboxamide
CID 106685808
6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
CID 106551385
5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625100
6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 103187315
2-(2-aminoethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66388857
3-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 105069457

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide (CID 114035318) is 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide is CC(CN1CCCC1)NC(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide?
The InChIKey is ZCOZUKCLWGRRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-9(8-17-4-2-3-5-17)15-12(18)10-6-14-7-11(13)16-10/h6-7,9H,2-5,8H2,1H3,(H,15,18).
What are the key properties of 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide?
6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide has a molecular weight of 268.75 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 114035318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).