6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C23H24N8O2 — CID 58548252

IUPAC6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccnc1C(=O)N1CCCCC1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H24N8O2/c32-22(30-17-5-4-8-26-19(17)23(33)31-9-2-1-3-10-31)20-21(28-16-11-24-14-25-12-16)27-13-18(29-20)15-6-7-15/h4-5,8,11-15H,1-3,6-7,9-10H2,(H,27,28)(H,30,32)
InChIKeyGJEGHDCZBRIZHK-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.16
Rot. Bonds6

About 6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548252) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548252
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccnc1C(=O)N1CCCCC1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H24N8O2/c32-22(30-17-5-4-8-26-19(17)23(33)31-9-2-1-3-10-31)20-21(28-16-11-24-14-25-12-16)27-13-18(29-20)15-6-7-15/h4-5,8,11-15H,1-3,6-7,9-10H2,(H,27,28)(H,30,32)
InChIKeyGJEGHDCZBRIZHK-UHFFFAOYSA-N
XLogP3.16
TPSA125.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.16
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-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548252) is 6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(Nc1cccnc1C(=O)N1CCCCC1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is GJEGHDCZBRIZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c32-22(30-17-5-4-8-26-19(17)23(33)31-9-2-1-3-10-31)20-21(28-16-11-24-14-25-12-16)27-13-18(29-20)15-6-7-15/h4-5,8,11-15H,1-3,6-7,9-10H2,(H,27,28)(H,30,32).
What are the key properties of 6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).