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

C21H18N8O — CID 53328250

IUPAC6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccn(-c2ccncc2)n1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H18N8O/c30-21(27-19-7-10-29(28-19)16-5-8-22-9-6-16)20-18(25-15-11-23-13-24-12-15)4-3-17(26-20)14-1-2-14/h3-14,25H,1-2H2,(H,27,28,30)
InChIKeySWHRGFCOHCABRF-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.33
Rot. Bonds6

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

6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53328250) has the molecular formula C21H18N8O and a molecular weight of 398.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53328250
Molecular FormulaC21H18N8O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccn(-c2ccncc2)n1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H18N8O/c30-21(27-19-7-10-29(28-19)16-5-8-22-9-6-16)20-18(25-15-11-23-13-24-12-15)4-3-17(26-20)14-1-2-14/h3-14,25H,1-2H2,(H,27,28,30)
InChIKeySWHRGFCOHCABRF-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-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53328250) is 6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1ccn(-c2ccncc2)n1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is SWHRGFCOHCABRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8O/c30-21(27-19-7-10-29(28-19)16-5-8-22-9-6-16)20-18(25-15-11-23-13-24-12-15)4-3-17(26-20)14-1-2-14/h3-14,25H,1-2H2,(H,27,28,30).
What are the key properties of 6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-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-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53328250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).