6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C16H16ClN7O2 — CID 165415261

IUPAC6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCOCCn1ccc(NC(=O)c2nc(Cl)ccc2Nc2cncnc2)n1
InChIInChI=1S/C16H16ClN7O2/c1-26-7-6-24-5-4-14(23-24)22-16(25)15-12(2-3-13(17)21-15)20-11-8-18-10-19-9-11/h2-5,8-10,20H,6-7H2,1H3,(H,22,23,25)
InChIKeyHMZOODAOQMFTSF-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.36
Rot. Bonds7

About 6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 165415261) has the molecular formula C16H16ClN7O2 and a molecular weight of 373.80 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID165415261
Molecular FormulaC16H16ClN7O2
Molecular Weight373.80 g/mol
Exact Mass373.11
IUPAC Name6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCOCCn1ccc(NC(=O)c2nc(Cl)ccc2Nc2cncnc2)n1
InChIInChI=1S/C16H16ClN7O2/c1-26-7-6-24-5-4-14(23-24)22-16(25)15-12(2-3-13(17)21-15)20-11-8-18-10-19-9-11/h2-5,8-10,20H,6-7H2,1H3,(H,22,23,25)
InChIKeyHMZOODAOQMFTSF-UHFFFAOYSA-N
XLogP2.36
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 165415261) is 6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is COCCn1ccc(NC(=O)c2nc(Cl)ccc2Nc2cncnc2)n1.
What is the InChIKey of 6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is HMZOODAOQMFTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN7O2/c1-26-7-6-24-5-4-14(23-24)22-16(25)15-12(2-3-13(17)21-15)20-11-8-18-10-19-9-11/h2-5,8-10,20H,6-7H2,1H3,(H,22,23,25).
What are the key properties of 6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 373.80 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 165415261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).