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

C21H20N8O2 — CID 58548288

IUPACN-[2-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccnc1C(=O)N1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H20N8O2/c30-20(28-15-3-1-6-24-17(15)21(31)29-7-2-8-29)18-19(26-14-9-22-12-23-10-14)25-11-16(27-18)13-4-5-13/h1,3,6,9-13H,2,4-5,7-8H2,(H,25,26)(H,28,30)
InChIKeyUUVQPVFYLCFSDN-UHFFFAOYSA-N
MW416.45 g/mol
LogP2.38
Rot. Bonds6

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

N-[2-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548288) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[2-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548288
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC NameN-[2-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccnc1C(=O)N1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H20N8O2/c30-20(28-15-3-1-6-24-17(15)21(31)29-7-2-8-29)18-19(26-14-9-22-12-23-10-14)25-11-16(27-18)13-4-5-13/h1,3,6,9-13H,2,4-5,7-8H2,(H,25,26)(H,28,30)
InChIKeyUUVQPVFYLCFSDN-UHFFFAOYSA-N
XLogP2.38
TPSA125.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548288) is N-[2-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(Nc1cccnc1C(=O)N1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of N-[2-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is UUVQPVFYLCFSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c30-20(28-15-3-1-6-24-17(15)21(31)29-7-2-8-29)18-19(26-14-9-22-12-23-10-14)25-11-16(27-18)13-4-5-13/h1,3,6,9-13H,2,4-5,7-8H2,(H,25,26)(H,28,30).
What are the key properties of N-[2-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
N-[2-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).