6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C17H17N7O — CID 11709781

IUPAC6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n1
InChIInChI=1S/C17H17N7O/c1-24-7-6-15(23-24)22-17(25)16-14(20-12-8-18-10-19-9-12)5-4-13(21-16)11-2-3-11/h4-11,20H,2-3H2,1H3,(H,22,23,25)
InChIKeyGAGASSHNDNZIOT-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.48
Rot. Bonds5

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

6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 11709781) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID11709781
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n1
InChIInChI=1S/C17H17N7O/c1-24-7-6-15(23-24)22-17(25)16-14(20-12-8-18-10-19-9-12)5-4-13(21-16)11-2-3-11/h4-11,20H,2-3H2,1H3,(H,22,23,25)
InChIKeyGAGASSHNDNZIOT-UHFFFAOYSA-N
XLogP2.48
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 11709781) is 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is Cn1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n1.
What is the InChIKey of 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is GAGASSHNDNZIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-24-7-6-15(23-24)22-17(25)16-14(20-12-8-18-10-19-9-12)5-4-13(21-16)11-2-3-11/h4-11,20H,2-3H2,1H3,(H,22,23,25).
What are the key properties of 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 11709781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).