2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide

C19H21N5O2 — CID 53203518

IUPAC2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide
SMILESCOc1ccccc1C(=O)NC1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C19H21N5O2/c1-26-16-7-3-2-6-15(16)18(25)20-14-9-12-23(13-10-14)19-22-21-17-8-4-5-11-24(17)19/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,25)
InChIKeyOOVGIZULTRVRAA-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.14
Rot. Bonds4

About 2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide

2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide (PubChem CID 53203518) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide
PubChem CID53203518
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide
SMILESCOc1ccccc1C(=O)NC1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C19H21N5O2/c1-26-16-7-3-2-6-15(16)18(25)20-14-9-12-23(13-10-14)19-22-21-17-8-4-5-11-24(17)19/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,25)
InChIKeyOOVGIZULTRVRAA-UHFFFAOYSA-N
XLogP2.14
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide
CID 131955125
(7S)-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
CID 140430627
(5-Amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
CID 971668
7-(difluoromethyl)-N-(2-methoxybenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 975142
2-Methoxy-4-[6-(Propan-2-Ylamino)imidazo[1,2-B]pyridazin-3-Yl]benzamide
CID 136664429
N-benzyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
CID 162423124
N-tert-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
CID 162623416
N-[2-(dimethylamino)ethyl]-4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]benzamide
CID 91299904
4-methoxy-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 145981571
3-[(2-Methoxy-benzoyl)-hydrazono]-N-pyridin-2-yl-butyramide
CID 9591626
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9507180
N-benzyl-1-(2-methoxybenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 2983598

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide (CID 53203518) is 2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide is COc1ccccc1C(=O)NC1CCN(c2nnc3ccccn23)CC1.
What is the InChIKey of 2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide?
The InChIKey is OOVGIZULTRVRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-16-7-3-2-6-15(16)18(25)20-14-9-12-23(13-10-14)19-22-21-17-8-4-5-11-24(17)19/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,25).
What are the key properties of 2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide?
2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 53203518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).