6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C24H26N8O3 — CID 58548348

IUPAC6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1)C1CCOCC1
InChIInChI=1S/C24H26N8O3/c1-32(17-6-9-35-10-7-17)24(34)20-18(3-2-8-27-20)31-23(33)21-22(29-16-11-25-14-26-12-16)28-13-19(30-21)15-4-5-15/h2-3,8,11-15,17H,4-7,9-10H2,1H3,(H,28,29)(H,31,33)
InChIKeySRJOZJSYRQCDCS-UHFFFAOYSA-N
MW474.53 g/mol
LogP2.79
Rot. Bonds7

About 6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548348) has the molecular formula C24H26N8O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548348
Molecular FormulaC24H26N8O3
Molecular Weight474.53 g/mol
Exact Mass474.21
IUPAC Name6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1)C1CCOCC1
InChIInChI=1S/C24H26N8O3/c1-32(17-6-9-35-10-7-17)24(34)20-18(3-2-8-27-20)31-23(33)21-22(29-16-11-25-14-26-12-16)28-13-19(30-21)15-4-5-15/h2-3,8,11-15,17H,4-7,9-10H2,1H3,(H,28,29)(H,31,33)
InChIKeySRJOZJSYRQCDCS-UHFFFAOYSA-N
XLogP2.79
TPSA135.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548348) is 6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CN(C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1)C1CCOCC1.
What is the InChIKey of 6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is SRJOZJSYRQCDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3/c1-32(17-6-9-35-10-7-17)24(34)20-18(3-2-8-27-20)31-23(33)21-22(29-16-11-25-14-26-12-16)28-13-19(30-21)15-4-5-15/h2-3,8,11-15,17H,4-7,9-10H2,1H3,(H,28,29)(H,31,33).
What are the key properties of 6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 474.53 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-[methyl(oxan-4-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).