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

C22H24N8O3 — CID 58548195

IUPAC6-cyclopropyl-N-[2-[ethyl(2-hydroxyethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCN(CCO)C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H24N8O3/c1-2-30(8-9-31)22(33)18-16(4-3-7-25-18)29-21(32)19-20(27-15-10-23-13-24-11-15)26-12-17(28-19)14-5-6-14/h3-4,7,10-14,31H,2,5-6,8-9H2,1H3,(H,26,27)(H,29,32)
InChIKeySOAGQDKHJFZMNP-UHFFFAOYSA-N
MW448.49 g/mol
LogP1.99
Rot. Bonds9

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

6-cyclopropyl-N-[2-[ethyl(2-hydroxyethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548195) has the molecular formula C22H24N8O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-[ethyl(2-hydroxyethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-[ethyl(2-hydroxyethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548195
Molecular FormulaC22H24N8O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name6-cyclopropyl-N-[2-[ethyl(2-hydroxyethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCN(CCO)C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H24N8O3/c1-2-30(8-9-31)22(33)18-16(4-3-7-25-18)29-21(32)19-20(27-15-10-23-13-24-11-15)26-12-17(28-19)14-5-6-14/h3-4,7,10-14,31H,2,5-6,8-9H2,1H3,(H,26,27)(H,29,32)
InChIKeySOAGQDKHJFZMNP-UHFFFAOYSA-N
XLogP1.99
TPSA146.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329171
6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54761643
6-cyclopropyl-N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58368041
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548190
6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548204
N-[2-(azetidine-1-carbonyl)-5-fluorophenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548219
6-cyclopropyl-N-[4-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548285
6-cyclopropyl-N-[2-[(3-methyloxetan-3-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548297
6-cyclopropyl-N-[4,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548299
6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548301
6-cyclopropyl-N-[3,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548325

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-[ethyl(2-hydroxyethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-[ethyl(2-hydroxyethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548195) is 6-cyclopropyl-N-[2-[ethyl(2-hydroxyethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-[ethyl(2-hydroxyethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-[ethyl(2-hydroxyethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CCN(CCO)C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-[ethyl(2-hydroxyethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is SOAGQDKHJFZMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3/c1-2-30(8-9-31)22(33)18-16(4-3-7-25-18)29-21(32)19-20(27-15-10-23-13-24-11-15)26-12-17(28-19)14-5-6-14/h3-4,7,10-14,31H,2,5-6,8-9H2,1H3,(H,26,27)(H,29,32).
What are the key properties of 6-cyclopropyl-N-[2-[ethyl(2-hydroxyethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-[ethyl(2-hydroxyethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 1.99, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-[ethyl(2-hydroxyethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).