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

C17H18N8O — CID 67098729

IUPAC4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(C)c(C#N)c(NCCOc3ncccn3)n2)n[nH]1
InChIInChI=1S/C17H18N8O/c1-11-8-14(22-15-9-12(2)24-25-15)23-16(13(11)10-18)19-6-7-26-17-20-4-3-5-21-17/h3-5,8-9H,6-7H2,1-2H3,(H3,19,22,23,24,25)
InChIKeyKMFLPEBGAXVVCJ-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.32
Rot. Bonds7

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

4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile (PubChem CID 67098729) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile
PubChem CID67098729
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(C)c(C#N)c(NCCOc3ncccn3)n2)n[nH]1
InChIInChI=1S/C17H18N8O/c1-11-8-14(22-15-9-12(2)24-25-15)23-16(13(11)10-18)19-6-7-26-17-20-4-3-5-21-17/h3-5,8-9H,6-7H2,1-2H3,(H3,19,22,23,24,25)
InChIKeyKMFLPEBGAXVVCJ-UHFFFAOYSA-N
XLogP2.32
TPSA124.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
CID 67098658
2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 11983545
6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride
CID 67098352
6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]-4-thiophen-2-ylpyridine-3-carbonitrile
CID 67098575
6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride
CID 67098880
4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
CID 67098847
6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-ethyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
CID 67098905
6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile
CID 163940505
2,6-bis[2-(dimethylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 46927197
3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 164830024
6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile
CID 59847379
2-[2-[[3-cyano-4-methyl-6-(2-sulfooxyethylamino)-2-pyridinyl]amino]ethylsulfonyl]ethyl hydrogen sulfate
CID 89226456

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile (CID 67098729) is 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile is Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ncccn3)n2)n[nH]1.
What is the InChIKey of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile?
The InChIKey is KMFLPEBGAXVVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c1-11-8-14(22-15-9-12(2)24-25-15)23-16(13(11)10-18)19-6-7-26-17-20-4-3-5-21-17/h3-5,8-9H,6-7H2,1-2H3,(H3,19,22,23,24,25).
What are the key properties of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile?
4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile has a molecular weight of 350.39 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 67098729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).