N-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide

C25H20F3N7O2 — CID 176565582

IUPACN-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(-c3cc(NC(=O)Nc4ccc(C(F)(F)F)nc4)cnc3C)ccn2)ccn1
InChIInChI=1S/C25H20F3N7O2/c1-14-20(16-5-7-29-21(9-16)17-6-8-30-23(10-17)33-15(2)36)11-19(13-31-14)35-24(37)34-18-3-4-22(32-12-18)25(26,27)28/h3-13H,1-2H3,(H,30,33,36)(H2,34,35,37)
InChIKeyQNZOCNSSGWQIKF-UHFFFAOYSA-N
MW507.48 g/mol
LogP5.53
Rot. Bonds5

About N-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide

N-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 176565582) has the molecular formula C25H20F3N7O2 and a molecular weight of 507.48 g/mol. Its IUPAC name is N-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide
PubChem CID176565582
Molecular FormulaC25H20F3N7O2
Molecular Weight507.48 g/mol
Exact Mass507.16
IUPAC NameN-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(-c3cc(NC(=O)Nc4ccc(C(F)(F)F)nc4)cnc3C)ccn2)ccn1
InChIInChI=1S/C25H20F3N7O2/c1-14-20(16-5-7-29-21(9-16)17-6-8-30-23(10-17)33-15(2)36)11-19(13-31-14)35-24(37)34-18-3-4-22(32-12-18)25(26,27)28/h3-13H,1-2H3,(H,30,33,36)(H2,34,35,37)
InChIKeyQNZOCNSSGWQIKF-UHFFFAOYSA-N
XLogP5.53
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.48
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

Darovasertib
CID 118873253
Wnt-974
CID 46926973
Las-101057
CID 16071896
1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
Gnf6231
CID 46927297
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
3-Methyl-5-(5-methylpyridin-3-yl)-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
CID 91827383
N-[6-(2-fluorophenyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 16071901
US10251893, Cpd 51
CID 46926891
N-[2,3'-Bipyridin]-6'-yl-2',3-dimethyl[2,4'-bipyridine]-5-acetamide
CID 46927131

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide (CID 176565582) is N-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cc(-c3cc(NC(=O)Nc4ccc(C(F)(F)F)nc4)cnc3C)ccn2)ccn1.
What is the InChIKey of N-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is QNZOCNSSGWQIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N7O2/c1-14-20(16-5-7-29-21(9-16)17-6-8-30-23(10-17)33-15(2)36)11-19(13-31-14)35-24(37)34-18-3-4-22(32-12-18)25(26,27)28/h3-13H,1-2H3,(H,30,33,36)(H2,34,35,37).
What are the key properties of N-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 507.48 g/mol, XLogP of 5.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 176565582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).