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

C19H18N8O2 — CID 165415363

IUPAC6-cyclopropyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1
InChIInChI=1S/C19H18N8O2/c1-20-18(28)13-3-2-4-15(25-13)27-19(29)16-17(24-12-7-21-10-22-8-12)23-9-14(26-16)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,20,28)(H,23,24)(H,25,27,29)
InChIKeyLGFMQQCBZWFQHS-UHFFFAOYSA-N
MW390.41 g/mol
LogP1.89
Rot. Bonds6

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

6-cyclopropyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415363) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 6-cyclopropyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415363
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name6-cyclopropyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1
InChIInChI=1S/C19H18N8O2/c1-20-18(28)13-3-2-4-15(25-13)27-19(29)16-17(24-12-7-21-10-22-8-12)23-9-14(26-16)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,20,28)(H,23,24)(H,25,27,29)
InChIKeyLGFMQQCBZWFQHS-UHFFFAOYSA-N
XLogP1.89
TPSA134.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.89
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-(methylcarbamoyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415363) is 6-cyclopropyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1.
What is the InChIKey of 6-cyclopropyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is LGFMQQCBZWFQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2/c1-20-18(28)13-3-2-4-15(25-13)27-19(29)16-17(24-12-7-21-10-22-8-12)23-9-14(26-16)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,20,28)(H,23,24)(H,25,27,29).
What are the key properties of 6-cyclopropyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 1.89, 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-(methylcarbamoyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).