N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide

C21H26N6O — CID 166277960

IUPACN-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide
SMILESCN(C)CC1CCN(c2ccccc2NC(=O)c2cccc3nncn23)CC1
InChIInChI=1S/C21H26N6O/c1-25(2)14-16-10-12-26(13-11-16)18-7-4-3-6-17(18)23-21(28)19-8-5-9-20-24-22-15-27(19)20/h3-9,15-16H,10-14H2,1-2H3,(H,23,28)
InChIKeyXZNPBCRFXGAOGD-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.76
Rot. Bonds5

About N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide

N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide (PubChem CID 166277960) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide
PubChem CID166277960
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide
SMILESCN(C)CC1CCN(c2ccccc2NC(=O)c2cccc3nncn23)CC1
InChIInChI=1S/C21H26N6O/c1-25(2)14-16-10-12-26(13-11-16)18-7-4-3-6-17(18)23-21(28)19-8-5-9-20-24-22-15-27(19)20/h3-9,15-16H,10-14H2,1-2H3,(H,23,28)
InChIKeyXZNPBCRFXGAOGD-UHFFFAOYSA-N
XLogP2.76
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-3-propan-2-ylurea
CID 100665127
4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 166319617
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide
CID 68551320
(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide
CID 95786677
2-[4-[(dimethylamino)methyl]piperidin-1-yl]benzenecarbothioamide
CID 54985905
N-[2-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 4538085
1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 80902402
2-(dimethylamino)-N-[2-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]phenyl]acetamide
CID 15860063
N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide
CID 75435744
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol
CID 103959921
3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide
CID 110016310
N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide
CID 175142313

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide?
The IUPAC name of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide (CID 166277960) is N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide?
The canonical SMILES for N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide is CN(C)CC1CCN(c2ccccc2NC(=O)c2cccc3nncn23)CC1.
What is the InChIKey of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide?
The InChIKey is XZNPBCRFXGAOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-25(2)14-16-10-12-26(13-11-16)18-7-4-3-6-17(18)23-21(28)19-8-5-9-20-24-22-15-27(19)20/h3-9,15-16H,10-14H2,1-2H3,(H,23,28).
What are the key properties of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide?
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide is sourced from PubChem (CID 166277960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).