6-cyclopropyl-N-[2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C23H24N8O3 — CID 58548160

IUPAC6-cyclopropyl-N-[2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC1COCCN1C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H24N8O3/c1-14-12-34-8-7-31(14)23(33)19-17(3-2-6-26-19)30-22(32)20-21(28-16-9-24-13-25-10-16)27-11-18(29-20)15-4-5-15/h2-3,6,9-11,13-15H,4-5,7-8,12H2,1H3,(H,27,28)(H,30,32)
InChIKeyCMBGRMNDGDJFAP-UHFFFAOYSA-N
MW460.50 g/mol
LogP2.40
Rot. Bonds6

About 6-cyclopropyl-N-[2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548160) has the molecular formula C23H24N8O3 and a molecular weight of 460.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548160
Molecular FormulaC23H24N8O3
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC Name6-cyclopropyl-N-[2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC1COCCN1C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H24N8O3/c1-14-12-34-8-7-31(14)23(33)19-17(3-2-6-26-19)30-22(32)20-21(28-16-9-24-13-25-10-16)27-11-18(29-20)15-4-5-15/h2-3,6,9-11,13-15H,4-5,7-8,12H2,1H3,(H,27,28)(H,30,32)
InChIKeyCMBGRMNDGDJFAP-UHFFFAOYSA-N
XLogP2.40
TPSA135.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 52.40
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-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548160) is 6-cyclopropyl-N-[2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC1COCCN1C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is CMBGRMNDGDJFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O3/c1-14-12-34-8-7-31(14)23(33)19-17(3-2-6-26-19)30-22(32)20-21(28-16-9-24-13-25-10-16)27-11-18(29-20)15-4-5-15/h2-3,6,9-11,13-15H,4-5,7-8,12H2,1H3,(H,27,28)(H,30,32).
What are the key properties of 6-cyclopropyl-N-[2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).