N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide

C22H24F3N7O2 — CID 145477974

IUPACN,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide
SMILESCN(C)C=O.CNC(=O)c1ncccc1Nc1cc(Nc2ccc(C)cn2)ncc1C(F)(F)F
InChIInChI=1S/C19H17F3N6O.C3H7NO/c1-11-5-6-15(25-9-11)28-16-8-14(12(10-26-16)19(20,21)22)27-13-4-3-7-24-17(13)18(29)23-2;1-4(2)3-5/h3-10H,1-2H3,(H,23,29)(H2,25,26,27,28);3H,1-2H3
InChIKeyXKRNCBWIBZUYSF-UHFFFAOYSA-N
MW475.48 g/mol
LogP3.75
Rot. Bonds6

About N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide

N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide (PubChem CID 145477974) has the molecular formula C22H24F3N7O2 and a molecular weight of 475.48 g/mol. Its IUPAC name is N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide
PubChem CID145477974
Molecular FormulaC22H24F3N7O2
Molecular Weight475.48 g/mol
Exact Mass475.19
IUPAC NameN,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide
SMILESCN(C)C=O.CNC(=O)c1ncccc1Nc1cc(Nc2ccc(C)cn2)ncc1C(F)(F)F
InChIInChI=1S/C19H17F3N6O.C3H7NO/c1-11-5-6-15(25-9-11)28-16-8-14(12(10-26-16)19(20,21)22)27-13-4-3-7-24-17(13)18(29)23-2;1-4(2)3-5/h3-10H,1-2H3,(H,23,29)(H2,25,26,27,28);3H,1-2H3
InChIKeyXKRNCBWIBZUYSF-UHFFFAOYSA-N
XLogP3.75
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473468
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine
CID 157235212
N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 87259623
2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide
CID 44537931
2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 141455583
3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
CID 25071287
3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 117074531
2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 67076041
2-[[2-[(3-cyano-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 67075702
4-(1H-indol-7-ylamino)-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473467
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 159860536
4-amino-N,N,3-trimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide)
CID 159615965

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide (CID 145477974) is N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide is CN(C)C=O.CNC(=O)c1ncccc1Nc1cc(Nc2ccc(C)cn2)ncc1C(F)(F)F.
What is the InChIKey of N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide?
The InChIKey is XKRNCBWIBZUYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O.C3H7NO/c1-11-5-6-15(25-9-11)28-16-8-14(12(10-26-16)19(20,21)22)27-13-4-3-7-24-17(13)18(29)23-2;1-4(2)3-5/h3-10H,1-2H3,(H,23,29)(H2,25,26,27,28);3H,1-2H3.
What are the key properties of N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide?
N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide has a molecular weight of 475.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 145477974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).