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

C22H22N8O3 — CID 165415284

IUPAC6-cyclopropyl-N-[6-(morpholine-4-carbonyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)n1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H22N8O3/c31-21(29-18-3-1-2-16(27-18)22(32)30-6-8-33-9-7-30)19-20(26-15-10-23-13-24-11-15)25-12-17(28-19)14-4-5-14/h1-3,10-14H,4-9H2,(H,25,26)(H,27,29,31)
InChIKeyNOVRPCCCZYJOPQ-UHFFFAOYSA-N
MW446.47 g/mol
LogP2.01
Rot. Bonds6

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

6-cyclopropyl-N-[6-(morpholine-4-carbonyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415284) has the molecular formula C22H22N8O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[6-(morpholine-4-carbonyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[6-(morpholine-4-carbonyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415284
Molecular FormulaC22H22N8O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC Name6-cyclopropyl-N-[6-(morpholine-4-carbonyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)n1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H22N8O3/c31-21(29-18-3-1-2-16(27-18)22(32)30-6-8-33-9-7-30)19-20(26-15-10-23-13-24-11-15)25-12-17(28-19)14-4-5-14/h1-3,10-14H,4-9H2,(H,25,26)(H,27,29,31)
InChIKeyNOVRPCCCZYJOPQ-UHFFFAOYSA-N
XLogP2.01
TPSA135.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-cyclopropyl-N-[6-(morpholine-4-carbonyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[6-(morpholine-4-carbonyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[6-(morpholine-4-carbonyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415284) is 6-cyclopropyl-N-[6-(morpholine-4-carbonyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[6-(morpholine-4-carbonyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[6-(morpholine-4-carbonyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCOCC2)n1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[6-(morpholine-4-carbonyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is NOVRPCCCZYJOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O3/c31-21(29-18-3-1-2-16(27-18)22(32)30-6-8-33-9-7-30)19-20(26-15-10-23-13-24-11-15)25-12-17(28-19)14-4-5-14/h1-3,10-14H,4-9H2,(H,25,26)(H,27,29,31).
What are the key properties of 6-cyclopropyl-N-[6-(morpholine-4-carbonyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[6-(morpholine-4-carbonyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[6-(morpholine-4-carbonyl)-2-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).