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

C21H22N8O2 — CID 58548327

IUPAC6-cyclopropyl-N-[2-[ethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCN(C)C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H22N8O2/c1-3-29(2)21(31)17-15(5-4-8-24-17)28-20(30)18-19(26-14-9-22-12-23-10-14)25-11-16(27-18)13-6-7-13/h4-5,8-13H,3,6-7H2,1-2H3,(H,25,26)(H,28,30)
InChIKeyLCHRDGRMTUCQAH-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.63
Rot. Bonds7

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

6-cyclopropyl-N-[2-[ethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548327) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-[ethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-[ethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548327
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name6-cyclopropyl-N-[2-[ethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCN(C)C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H22N8O2/c1-3-29(2)21(31)17-15(5-4-8-24-17)28-20(30)18-19(26-14-9-22-12-23-10-14)25-11-16(27-18)13-6-7-13/h4-5,8-13H,3,6-7H2,1-2H3,(H,25,26)(H,28,30)
InChIKeyLCHRDGRMTUCQAH-UHFFFAOYSA-N
XLogP2.63
TPSA125.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-[ethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-[ethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548327) is 6-cyclopropyl-N-[2-[ethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-[ethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-[ethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CCN(C)C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-[ethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is LCHRDGRMTUCQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-3-29(2)21(31)17-15(5-4-8-24-17)28-20(30)18-19(26-14-9-22-12-23-10-14)25-11-16(27-18)13-6-7-13/h4-5,8-13H,3,6-7H2,1-2H3,(H,25,26)(H,28,30).
What are the key properties of 6-cyclopropyl-N-[2-[ethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-[ethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-[ethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).