6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C21H18N8O — CID 53329711

IUPAC6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cn(-c2ccccn2)cn1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H18N8O/c30-21(28-18-11-29(13-25-18)19-3-1-2-8-24-19)20-17(26-15-9-22-12-23-10-15)7-6-16(27-20)14-4-5-14/h1-3,6-14,26H,4-5H2,(H,28,30)
InChIKeyJMMDOYBDVAHWLZ-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.33
Rot. Bonds6

About 6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53329711) has the molecular formula C21H18N8O and a molecular weight of 398.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53329711
Molecular FormulaC21H18N8O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cn(-c2ccccn2)cn1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H18N8O/c30-21(28-18-11-29(13-25-18)19-3-1-2-8-24-19)20-17(26-15-9-22-12-23-10-15)7-6-16(27-20)14-4-5-14/h1-3,6-14,26H,4-5H2,(H,28,30)
InChIKeyJMMDOYBDVAHWLZ-UHFFFAOYSA-N
XLogP3.33
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53329711) is 6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cn(-c2ccccn2)cn1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is JMMDOYBDVAHWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8O/c30-21(28-18-11-29(13-25-18)19-3-1-2-8-24-19)20-17(26-15-9-22-12-23-10-15)7-6-16(27-20)14-4-5-14/h1-3,6-14,26H,4-5H2,(H,28,30).
What are the key properties of 6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(1-pyridin-2-ylimidazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53329711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).