4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile

C19H21N7O — CID 67097557

IUPAC4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3C)n2)n[nH]1
InChIInChI=1S/C19H21N7O/c1-12-9-17(23-18-10-13(2)25-26-18)24-19(15(12)11-20)22-7-8-27-16-5-4-6-21-14(16)3/h4-6,9-10H,7-8H2,1-3H3,(H3,22,23,24,25,26)
InChIKeyVQBZFHKHISYRMO-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.23
Rot. Bonds7

About 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile

4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile (PubChem CID 67097557) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
PubChem CID67097557
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3C)n2)n[nH]1
InChIInChI=1S/C19H21N7O/c1-12-9-17(23-18-10-13(2)25-26-18)24-19(15(12)11-20)22-7-8-27-16-5-4-6-21-14(16)3/h4-6,9-10H,7-8H2,1-3H3,(H3,22,23,24,25,26)
InChIKeyVQBZFHKHISYRMO-UHFFFAOYSA-N
XLogP3.23
TPSA111.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea
CID 25203958
Cct244747
CID 54758482
2-(2-(6-methylpyridin-3-yloxy)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)-4-methylnicotinonitrile
CID 67098566
2-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 67098846
2-[2-(2-chlorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 67098971
5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 71459414
20-Amino-14-fluoro-10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2(6),3,11(16),12,14,19,21-octaene-3-carbonitrile
CID 71732094
19-Amino-13-fluoro-9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile
CID 71732095
5-[[4-(Methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
CID 134508144
Chk1-IN-3
CID 138454800
Ly-2880070
CID 56968075
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138078

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile (CID 67097557) is 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile is Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3C)n2)n[nH]1.
What is the InChIKey of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?
The InChIKey is VQBZFHKHISYRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-12-9-17(23-18-10-13(2)25-26-18)24-19(15(12)11-20)22-7-8-27-16-5-4-6-21-14(16)3/h4-6,9-10H,7-8H2,1-3H3,(H3,22,23,24,25,26).
What are the key properties of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?
4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile has a molecular weight of 363.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 67097557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).