6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C20H20N8O2 — CID 58548412

IUPAC6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(C)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H20N8O2/c1-11-3-6-14(16(25-11)19(29)21-2)28-20(30)17-18(26-13-7-22-10-23-8-13)24-9-15(27-17)12-4-5-12/h3,6-10,12H,4-5H2,1-2H3,(H,21,29)(H,24,26)(H,28,30)
InChIKeyDDNPNYWMXLHCSM-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.20
Rot. Bonds6

About 6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548412) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548412
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(C)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H20N8O2/c1-11-3-6-14(16(25-11)19(29)21-2)28-20(30)17-18(26-13-7-22-10-23-8-13)24-9-15(27-17)12-4-5-12/h3,6-10,12H,4-5H2,1-2H3,(H,21,29)(H,24,26)(H,28,30)
InChIKeyDDNPNYWMXLHCSM-UHFFFAOYSA-N
XLogP2.20
TPSA134.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548412) is 6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1nc(C)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is DDNPNYWMXLHCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-11-3-6-14(16(25-11)19(29)21-2)28-20(30)17-18(26-13-7-22-10-23-8-13)24-9-15(27-17)12-4-5-12/h3,6-10,12H,4-5H2,1-2H3,(H,21,29)(H,24,26)(H,28,30).
What are the key properties of 6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).