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

C21H18N8O — CID 53330056

IUPAC6-cyclopropyl-N-(1-pyridin-2-ylpyrazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnn(-c2ccccn2)c1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H18N8O/c30-21(27-16-11-25-29(12-16)19-3-1-2-8-24-19)20-18(26-15-9-22-13-23-10-15)7-6-17(28-20)14-4-5-14/h1-3,6-14,26H,4-5H2,(H,27,30)
InChIKeyMHKSLGAXBAGRDE-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.33
Rot. Bonds6

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

6-cyclopropyl-N-(1-pyridin-2-ylpyrazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53330056) has the molecular formula C21H18N8O and a molecular weight of 398.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-(1-pyridin-2-ylpyrazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(1-pyridin-2-ylpyrazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53330056
Molecular FormulaC21H18N8O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name6-cyclopropyl-N-(1-pyridin-2-ylpyrazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnn(-c2ccccn2)c1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H18N8O/c30-21(27-16-11-25-29(12-16)19-3-1-2-8-24-19)20-18(26-15-9-22-13-23-10-15)7-6-17(28-20)14-4-5-14/h1-3,6-14,26H,4-5H2,(H,27,30)
InChIKeyMHKSLGAXBAGRDE-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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Related Compounds

Ocinaplon
CID 216456
6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328445
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (2-cyclohexyl-5-pyridin-2-yl-2H-pyrazol-3-yl)-amide
CID 53328447
N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328816
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-quinolin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328817
6-cyclopropyl-N-[1-(2-methylpropyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328989
N-[1-(cyclopentylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329168
N-[1-(cyclohexylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329169
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-methyl-3-quinolin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329353
6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329709
6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54761643

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(1-pyridin-2-ylpyrazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(1-pyridin-2-ylpyrazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53330056) is 6-cyclopropyl-N-(1-pyridin-2-ylpyrazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(1-pyridin-2-ylpyrazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(1-pyridin-2-ylpyrazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cnn(-c2ccccn2)c1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(1-pyridin-2-ylpyrazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is MHKSLGAXBAGRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8O/c30-21(27-16-11-25-29(12-16)19-3-1-2-8-24-19)20-18(26-15-9-22-13-23-10-15)7-6-17(28-20)14-4-5-14/h1-3,6-14,26H,4-5H2,(H,27,30).
What are the key properties of 6-cyclopropyl-N-(1-pyridin-2-ylpyrazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(1-pyridin-2-ylpyrazol-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-ylpyrazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53330056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).