2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile

C21H22N6O — CID 56866569

IUPAC2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
SMILESCCc1cc(-c2cc(-c3ccc(N4CCOCC4)cc3)nc(N)c2C#N)n[nH]1
InChIInChI=1S/C21H22N6O/c1-2-15-11-20(26-25-15)17-12-19(24-21(23)18(17)13-22)14-3-5-16(6-4-14)27-7-9-28-10-8-27/h3-6,11-12H,2,7-10H2,1H3,(H2,23,24)(H,25,26)
InChIKeyUGIUAUYFXBNXJO-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.99
Rot. Bonds4

About 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile

2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile (PubChem CID 56866569) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
PubChem CID56866569
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
SMILESCCc1cc(-c2cc(-c3ccc(N4CCOCC4)cc3)nc(N)c2C#N)n[nH]1
InChIInChI=1S/C21H22N6O/c1-2-15-11-20(26-25-15)17-12-19(24-21(23)18(17)13-22)14-3-5-16(6-4-14)27-7-9-28-10-8-27/h3-6,11-12H,2,7-10H2,1H3,(H2,23,24)(H,25,26)
InChIKeyUGIUAUYFXBNXJO-UHFFFAOYSA-N
XLogP2.99
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile
CID 56744480
2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 102246453
2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 95560938
2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56869661
2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 5153870
2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 3523944
2-amino-4-(2,4-dichlorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 4636737
5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile
CID 71418634
2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 4636733
4-[4-(6-ethyl-5-methyl-2-pyridinyl)phenyl]morpholine
CID 121495176
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine
CID 17129698

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile (CID 56866569) is 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile is CCc1cc(-c2cc(-c3ccc(N4CCOCC4)cc3)nc(N)c2C#N)n[nH]1.
What is the InChIKey of 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
The InChIKey is UGIUAUYFXBNXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-2-15-11-20(26-25-15)17-12-19(24-21(23)18(17)13-22)14-3-5-16(6-4-14)27-7-9-28-10-8-27/h3-6,11-12H,2,7-10H2,1H3,(H2,23,24)(H,25,26).
What are the key properties of 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile has a molecular weight of 374.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 56866569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).