2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide

C19H19F3N6O — CID 91000279

IUPAC2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide
SMILESCc1nn(C)cc1Nc1cc(NCc2ccccc2C(N)=O)c(C(F)(F)F)cn1
InChIInChI=1S/C19H19F3N6O/c1-11-16(10-28(2)27-11)26-17-7-15(14(9-25-17)19(20,21)22)24-8-12-5-3-4-6-13(12)18(23)29/h3-7,9-10H,8H2,1-2H3,(H2,23,29)(H2,24,25,26)
InChIKeyRQDPFNKBQJRDMI-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.60
Rot. Bonds6

About 2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide

2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide (PubChem CID 91000279) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide
PubChem CID91000279
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide
SMILESCc1nn(C)cc1Nc1cc(NCc2ccccc2C(N)=O)c(C(F)(F)F)cn1
InChIInChI=1S/C19H19F3N6O/c1-11-16(10-28(2)27-11)26-17-7-15(14(9-25-17)19(20,21)22)24-8-12-5-3-4-6-13(12)18(23)29/h3-7,9-10H,8H2,1-2H3,(H2,23,29)(H2,24,25,26)
InChIKeyRQDPFNKBQJRDMI-UHFFFAOYSA-N
XLogP3.60
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide
CID 91496649
2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide
CID 123423223
2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide
CID 90842896
2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide
CID 44537931
N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 87259623
2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide
CID 66992529
2-[amino-[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methoxybenzamide
CID 90127082
2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide
CID 102807082
8-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methyl-3,4-dihydro-1H-isoquinoline-1-carbaldehyde
CID 174618240
4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide
CID 123575616
3-methyl-2-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 142787848
N-(1,3-dimethylpyrazol-4-yl)-5-fluoropyridin-2-amine
CID 102806096

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide?
The IUPAC name of 2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide (CID 91000279) is 2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide.
What is the SMILES notation for 2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide?
The canonical SMILES for 2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide is Cc1nn(C)cc1Nc1cc(NCc2ccccc2C(N)=O)c(C(F)(F)F)cn1.
What is the InChIKey of 2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide?
The InChIKey is RQDPFNKBQJRDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-11-16(10-28(2)27-11)26-17-7-15(14(9-25-17)19(20,21)22)24-8-12-5-3-4-6-13(12)18(23)29/h3-7,9-10H,8H2,1-2H3,(H2,23,29)(H2,24,25,26).
What are the key properties of 2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide?
2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide has a molecular weight of 404.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide is sourced from PubChem (CID 91000279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).