4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile

C18H19N7O — CID 11949628

IUPAC4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3)n2)n[nH]1
InChIInChI=1S/C18H19N7O/c1-12-8-16(22-17-9-13(2)24-25-17)23-18(15(12)10-19)21-6-7-26-14-4-3-5-20-11-14/h3-5,8-9,11H,6-7H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyUAZXSLJQCXJPNG-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.92
Rot. Bonds7

About 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile

4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile (PubChem CID 11949628) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile
PubChem CID11949628
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3)n2)n[nH]1
InChIInChI=1S/C18H19N7O/c1-12-8-16(22-17-9-13(2)24-25-17)23-18(15(12)10-19)21-6-7-26-14-4-3-5-20-11-14/h3-5,8-9,11H,6-7H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyUAZXSLJQCXJPNG-UHFFFAOYSA-N
XLogP2.92
TPSA111.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.92
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-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-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
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
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-(2-methoxyethoxy)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25138080
5-[[4-(Methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-piperidin-4-yloxypyridine-2-carbonitrile
CID 155517225
5-Ethoxy-6-(6-methyl-pyridin-2-ylamino)-nicotinonitrile
CID 11172830

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile (CID 11949628) is 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile is Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3)n2)n[nH]1.
What is the InChIKey of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile?
The InChIKey is UAZXSLJQCXJPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-12-8-16(22-17-9-13(2)24-25-17)23-18(15(12)10-19)21-6-7-26-14-4-3-5-20-11-14/h3-5,8-9,11H,6-7H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile?
4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile has a molecular weight of 349.40 g/mol, XLogP of 2.92, 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-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 11949628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).