2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile

C20H21N5O2 — CID 56867537

IUPAC2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile
SMILESCOCc1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)ccc1OC
InChIInChI=1S/C20H21N5O2/c1-11-19(12(2)25-24-11)17-8-15(16(9-21)20(22)23-17)13-5-6-18(27-4)14(7-13)10-26-3/h5-8H,10H2,1-4H3,(H2,22,23)(H,24,25)
InChIKeyHHCQXQYUDJWZOZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.36
Rot. Bonds5

About 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile

2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 56867537) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile
PubChem CID56867537
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile
SMILESCOCc1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)ccc1OC
InChIInChI=1S/C20H21N5O2/c1-11-19(12(2)25-24-11)17-8-15(16(9-21)20(22)23-17)13-5-6-18(27-4)14(7-13)10-26-3/h5-8H,10H2,1-4H3,(H2,22,23)(H,24,25)
InChIKeyHHCQXQYUDJWZOZ-UHFFFAOYSA-N
XLogP3.36
TPSA109.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile (CID 56867537) is 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile is COCc1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)ccc1OC.
What is the InChIKey of 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is HHCQXQYUDJWZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-11-19(12(2)25-24-11)17-8-15(16(9-21)20(22)23-17)13-5-6-18(27-4)14(7-13)10-26-3/h5-8H,10H2,1-4H3,(H2,22,23)(H,24,25).
What are the key properties of 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile?
2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 363.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 56867537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).