N-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C26H34N6O — CID 138702418

IUPACN-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCCCC(CCC)N(C)C(=O)c1ccc(Nc2nc3c(C4=CCNCC4)cccn3n2)cc1
InChIInChI=1S/C26H34N6O/c1-4-7-22(8-5-2)31(3)25(33)20-10-12-21(13-11-20)28-26-29-24-23(9-6-18-32(24)30-26)19-14-16-27-17-15-19/h6,9-14,18,22,27H,4-5,7-8,15-17H2,1-3H3,(H,28,30)
InChIKeyCKRXHHSMISPDED-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.89
Rot. Bonds9

About N-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 138702418) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is N-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID138702418
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC NameN-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCCCC(CCC)N(C)C(=O)c1ccc(Nc2nc3c(C4=CCNCC4)cccn3n2)cc1
InChIInChI=1S/C26H34N6O/c1-4-7-22(8-5-2)31(3)25(33)20-10-12-21(13-11-20)28-26-29-24-23(9-6-18-32(24)30-26)19-14-16-27-17-15-19/h6,9-14,18,22,27H,4-5,7-8,15-17H2,1-3H3,(H,28,30)
InChIKeyCKRXHHSMISPDED-UHFFFAOYSA-N
XLogP4.89
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide with MolForge

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Related Compounds

ethyl 4-[2-[4-[dimethylamino(ethyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121434896
ethyl 4-[2-[4-[methyl-[(1-propan-2-ylpyrrolidin-3-yl)methyl]carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121434775
ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121434909
N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 121434848
N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 121435010
ethyl 4-[2-[4-[methyl-(4-methyl-2-pyridinyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121434788
ethyl 4-[2-[4-(2,8-diazaspiro[4.5]decane-8-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121434783
cyclopropylmethyl 4-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121435007
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 59198981
ethyl 4-[2-[4-[methyl(2-pyridin-2-ylethyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121434835
2,2,2-trifluoroethyl 4-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121434766
4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide
CID 91081447

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 138702418) is N-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is CCCC(CCC)N(C)C(=O)c1ccc(Nc2nc3c(C4=CCNCC4)cccn3n2)cc1.
What is the InChIKey of N-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is CKRXHHSMISPDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-4-7-22(8-5-2)31(3)25(33)20-10-12-21(13-11-20)28-26-29-24-23(9-6-18-32(24)30-26)19-14-16-27-17-15-19/h6,9-14,18,22,27H,4-5,7-8,15-17H2,1-3H3,(H,28,30).
What are the key properties of N-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 446.60 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 138702418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).