N-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide

C22H22FN7O2 — CID 166647472

IUPACN-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide
SMILESCOc1c(C#N)cccc1Nc1cc(Nc2cc(C)c(F)cn2)nc(NN(C)C=O)c1C
InChIInChI=1S/C22H22FN7O2/c1-13-8-19(25-11-16(13)23)27-20-9-18(14(2)22(28-20)29-30(3)12-31)26-17-7-5-6-15(10-24)21(17)32-4/h5-9,11-12H,1-4H3,(H3,25,26,27,28,29)
InChIKeyKARBMPFRGVTXSP-UHFFFAOYSA-N
MW435.46 g/mol
LogP4.02
Rot. Bonds8

About N-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide

N-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide (PubChem CID 166647472) has the molecular formula C22H22FN7O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide.

Molecular Properties

Compound NameN-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide
PubChem CID166647472
Molecular FormulaC22H22FN7O2
Molecular Weight435.46 g/mol
Exact Mass435.18
IUPAC NameN-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide
SMILESCOc1c(C#N)cccc1Nc1cc(Nc2cc(C)c(F)cn2)nc(NN(C)C=O)c1C
InChIInChI=1S/C22H22FN7O2/c1-13-8-19(25-11-16(13)23)27-20-9-18(14(2)22(28-20)29-30(3)12-31)26-17-7-5-6-15(10-24)21(17)32-4/h5-9,11-12H,1-4H3,(H3,25,26,27,28,29)
InChIKeyKARBMPFRGVTXSP-UHFFFAOYSA-N
XLogP4.02
TPSA115.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153726
6-[[4-(3-fluoro-2-methoxyanilino)-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]pyridine-3-carbonitrile
CID 146047326
3-[[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzonitrile
CID 146047284
2-methoxy-3-[[2-methyl-6-[(5-methyl-2-pyridinyl)amino]-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]benzonitrile
CID 146047281
2-methoxy-3-[[6-[[4-(methoxymethyl)-2-pyridinyl]amino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]benzonitrile
CID 146047282
6-[[4-(3-cyano-2-methoxyanilino)-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]pyridine-3-carbonitrile
CID 146047288
1-[5-(3-Cyano-2-hydrazinyl-4-pyridinyl)-2-pyridinyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 67329655
1-[4-(3-Cyano-2-hydrazinylpyridin-4-yl)phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 67329890
N-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxy-3-methylphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 69450180
N-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide
CID 70947661
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
CID 90134908
4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153819

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide?
The IUPAC name of N-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide (CID 166647472) is N-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide.
What is the SMILES notation for N-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide?
The canonical SMILES for N-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide is COc1c(C#N)cccc1Nc1cc(Nc2cc(C)c(F)cn2)nc(NN(C)C=O)c1C.
What is the InChIKey of N-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide?
The InChIKey is KARBMPFRGVTXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O2/c1-13-8-19(25-11-16(13)23)27-20-9-18(14(2)22(28-20)29-30(3)12-31)26-17-7-5-6-15(10-24)21(17)32-4/h5-9,11-12H,1-4H3,(H3,25,26,27,28,29).
What are the key properties of N-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide?
N-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide has a molecular weight of 435.46 g/mol, XLogP of 4.02, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide is sourced from PubChem (CID 166647472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).