6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C18H21N7O2 — CID 165415215

IUPAC6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCCN1CCCC1=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C18H21N7O2/c26-15-2-1-6-25(15)7-5-21-18(27)16-17(23-13-8-19-11-20-9-13)22-10-14(24-16)12-3-4-12/h8-12H,1-7H2,(H,21,27)(H,22,23)
InChIKeyPXCXVNFEQACUMN-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.24
Rot. Bonds7

About 6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415215) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415215
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCCN1CCCC1=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C18H21N7O2/c26-15-2-1-6-25(15)7-5-21-18(27)16-17(23-13-8-19-11-20-9-13)22-10-14(24-16)12-3-4-12/h8-12H,1-7H2,(H,21,27)(H,22,23)
InChIKeyPXCXVNFEQACUMN-UHFFFAOYSA-N
XLogP1.24
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548401
6-cyclopropyl-N-[5-(methylcarbamoyl)-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759650
6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759651
6-cyclopropyl-N-[5-(methylcarbamoyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759653
6-Cyclopropyl-N-(1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl)-3-(pyrazin-2-ylamino)pyrazine-2-carboxamide
CID 54760021
6-cyclopropyl-N-[5-(2,2-difluoropropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54760194
6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54760196
6-cyclopropyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54760197
6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54760198
6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54760378
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid [1-methyl-5-(1-methyl-azetidin-3-ylcarbamoyl)-1H-pyrazol-4-yl]-amide
CID 54760944
6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
CID 54761299

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415215) is 6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(NCCN1CCCC1=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is PXCXVNFEQACUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c26-15-2-1-6-25(15)7-5-21-18(27)16-17(23-13-8-19-11-20-9-13)22-10-14(24-16)12-3-4-12/h8-12H,1-7H2,(H,21,27)(H,22,23).
What are the key properties of 6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).