6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C18H17N7O2 — CID 165415354

IUPAC6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1
InChIInChI=1S/C18H17N7O2/c1-27-15-4-2-3-14(24-15)25-18(26)16-17(22-12-7-19-10-20-8-12)21-9-13(23-16)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,21,22)(H,24,25,26)
InChIKeyWSGRIIXZRAYOCG-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.54
Rot. Bonds6

About 6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415354) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415354
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1
InChIInChI=1S/C18H17N7O2/c1-27-15-4-2-3-14(24-15)25-18(26)16-17(22-12-7-19-10-20-8-12)21-9-13(23-16)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,21,22)(H,24,25,26)
InChIKeyWSGRIIXZRAYOCG-UHFFFAOYSA-N
XLogP2.54
TPSA114.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415354) is 6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is COc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1.
What is the InChIKey of 6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is WSGRIIXZRAYOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-27-15-4-2-3-14(24-15)25-18(26)16-17(22-12-7-19-10-20-8-12)21-9-13(23-16)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,21,22)(H,24,25,26).
What are the key properties of 6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(6-methoxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).