N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C22H20F3N5O2 — CID 58154980

IUPACN-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCCC(=O)c1ccnc(Nc2cc(Nc3ccccc3C(=O)NC)c(C(F)(F)F)cn2)c1
InChIInChI=1S/C22H20F3N5O2/c1-3-18(31)13-8-9-27-19(10-13)30-20-11-17(15(12-28-20)22(23,24)25)29-16-7-5-4-6-14(16)21(32)26-2/h4-12H,3H2,1-2H3,(H,26,32)(H2,27,28,29,30)
InChIKeyRTYZDWCFDZGWBP-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.93
Rot. Bonds7

About N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 58154980) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID58154980
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC NameN-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCCC(=O)c1ccnc(Nc2cc(Nc3ccccc3C(=O)NC)c(C(F)(F)F)cn2)c1
InChIInChI=1S/C22H20F3N5O2/c1-3-18(31)13-8-9-27-19(10-13)30-20-11-17(15(12-28-20)22(23,24)25)29-16-7-5-4-6-14(16)21(32)26-2/h4-12H,3H2,1-2H3,(H,26,32)(H2,27,28,29,30)
InChIKeyRTYZDWCFDZGWBP-UHFFFAOYSA-N
XLogP4.93
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Pirenzepine
CID 4848
Pirenzepine Hydrochloride
CID 71405
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Jnk-IN-8
CID 57340686
AQ-RA 741
CID 129989
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11518031
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548190
6-cyclopropyl-N-[4-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548285
6-cyclopropyl-N-[4,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548299

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 58154980) is N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is CCC(=O)c1ccnc(Nc2cc(Nc3ccccc3C(=O)NC)c(C(F)(F)F)cn2)c1.
What is the InChIKey of N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is RTYZDWCFDZGWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-3-18(31)13-8-9-27-19(10-13)30-20-11-17(15(12-28-20)22(23,24)25)29-16-7-5-4-6-14(16)21(32)26-2/h4-12H,3H2,1-2H3,(H,26,32)(H2,27,28,29,30).
What are the key properties of N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 443.43 g/mol, XLogP of 4.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 58154980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).