6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C22H21N7O2 — CID 165415220

IUPAC6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCOCc1ccc(Nc2cncnc2)c(C(=O)Nc2cccc(-c3ccn(C)n3)c2)n1
InChIInChI=1S/C22H21N7O2/c1-29-9-8-19(28-29)15-4-3-5-16(10-15)27-22(30)21-20(7-6-17(26-21)13-31-2)25-18-11-23-14-24-12-18/h3-12,14,25H,13H2,1-2H3,(H,27,30)
InChIKeyZZRDSAAUJLZYPT-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.41
Rot. Bonds7

About 6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 165415220) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID165415220
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCOCc1ccc(Nc2cncnc2)c(C(=O)Nc2cccc(-c3ccn(C)n3)c2)n1
InChIInChI=1S/C22H21N7O2/c1-29-9-8-19(28-29)15-4-3-5-16(10-15)27-22(30)21-20(7-6-17(26-21)13-31-2)25-18-11-23-14-24-12-18/h3-12,14,25H,13H2,1-2H3,(H,27,30)
InChIKeyZZRDSAAUJLZYPT-UHFFFAOYSA-N
XLogP3.41
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 58548365
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CID 58548409
CID 58548409
CID 86279298
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CID 117871558
CID 117871558
CID 58548359
CID 58548359
CID 71087441
CID 71087441
CID 165415009
CID 165415009
CID 165415010
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CID 165415125
CID 165415125

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 165415220) is 6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is COCc1ccc(Nc2cncnc2)c(C(=O)Nc2cccc(-c3ccn(C)n3)c2)n1.
What is the InChIKey of 6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is ZZRDSAAUJLZYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-29-9-8-19(28-29)15-4-3-5-16(10-15)27-22(30)21-20(7-6-17(26-21)13-31-2)25-18-11-23-14-24-12-18/h3-12,14,25H,13H2,1-2H3,(H,27,30).
What are the key properties of 6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 165415220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).