6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C20H17N7O — CID 53330913

IUPAC6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCc1ccc(Nc2cncnc2)c(C(=O)Nc2ccn(-c3ccccc3)n2)n1
InChIInChI=1S/C20H17N7O/c1-14-7-8-17(24-15-11-21-13-22-12-15)19(23-14)20(28)25-18-9-10-27(26-18)16-5-3-2-4-6-16/h2-13,24H,1H3,(H,25,26,28)
InChIKeySNJWPWIFXLVNEK-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.36
Rot. Bonds5

About 6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53330913) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53330913
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCc1ccc(Nc2cncnc2)c(C(=O)Nc2ccn(-c3ccccc3)n2)n1
InChIInChI=1S/C20H17N7O/c1-14-7-8-17(24-15-11-21-13-22-12-15)19(23-14)20(28)25-18-9-10-27(26-18)16-5-3-2-4-6-16/h2-13,24H,1H3,(H,25,26,28)
InChIKeySNJWPWIFXLVNEK-UHFFFAOYSA-N
XLogP3.36
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53330913) is 6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is Cc1ccc(Nc2cncnc2)c(C(=O)Nc2ccn(-c3ccccc3)n2)n1.
What is the InChIKey of 6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is SNJWPWIFXLVNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c1-14-7-8-17(24-15-11-21-13-22-12-15)19(23-14)20(28)25-18-9-10-27(26-18)16-5-3-2-4-6-16/h2-13,24H,1H3,(H,25,26,28).
What are the key properties of 6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53330913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).