3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide

C21H24N6O — CID 155951667

IUPAC3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cccnc1-n1cncn1)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C21H24N6O/c28-21(18-7-4-6-17(12-18)14-26-10-2-1-3-11-26)24-13-19-8-5-9-23-20(19)27-16-22-15-25-27/h4-9,12,15-16H,1-3,10-11,13-14H2,(H,24,28)
InChIKeyGYOUZVRZWBWTQH-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.58
Rot. Bonds6

About 3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide

3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 155951667) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
PubChem CID155951667
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cccnc1-n1cncn1)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C21H24N6O/c28-21(18-7-4-6-17(12-18)14-26-10-2-1-3-11-26)24-13-19-8-5-9-23-20(19)27-16-22-15-25-27/h4-9,12,15-16H,1-3,10-11,13-14H2,(H,24,28)
InChIKeyGYOUZVRZWBWTQH-UHFFFAOYSA-N
XLogP2.58
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
3-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 47036861
2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 50973850
3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 47036805
4-methoxy-3-nitro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721166
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55720371
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-2-carboxamide
CID 47056990
3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 56822123
(3S)-3-cyclohexyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 95310400
4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
CID 47036755
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 47050389
(3S)-1,1-dioxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]thiolane-3-carboxamide
CID 94026506

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide (CID 155951667) is 3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide is O=C(NCc1cccnc1-n1cncn1)c1cccc(CN2CCCCC2)c1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is GYOUZVRZWBWTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-21(18-7-4-6-17(12-18)14-26-10-2-1-3-11-26)24-13-19-8-5-9-23-20(19)27-16-22-15-25-27/h4-9,12,15-16H,1-3,10-11,13-14H2,(H,24,28).
What are the key properties of 3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 155951667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).