4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide

C24H29N7O3 — CID 68724898

IUPAC4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3nnn(CC4CCN(C(C)=O)CC4)n3)cc(C)n2)c1
InChIInChI=1S/C24H29N7O3/c1-16-11-20(13-22(26-16)24(33)25-14-19-5-4-6-21(12-19)34-3)23-27-29-31(28-23)15-18-7-9-30(10-8-18)17(2)32/h4-6,11-13,18H,7-10,14-15H2,1-3H3,(H,25,33)
InChIKeyFKDYADFMVCWIFP-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.24
Rot. Bonds7

About 4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide

4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (PubChem CID 68724898) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
PubChem CID68724898
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3nnn(CC4CCN(C(C)=O)CC4)n3)cc(C)n2)c1
InChIInChI=1S/C24H29N7O3/c1-16-11-20(13-22(26-16)24(33)25-14-19-5-4-6-21(12-19)34-3)23-27-29-31(28-23)15-18-7-9-30(10-8-18)17(2)32/h4-6,11-13,18H,7-10,14-15H2,1-3H3,(H,25,33)
InChIKeyFKDYADFMVCWIFP-UHFFFAOYSA-N
XLogP2.24
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (CID 68724898) is 4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is COc1cccc(CNC(=O)c2cc(-c3nnn(CC4CCN(C(C)=O)CC4)n3)cc(C)n2)c1.
What is the InChIKey of 4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is FKDYADFMVCWIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-16-11-20(13-22(26-16)24(33)25-14-19-5-4-6-21(12-19)34-3)23-27-29-31(28-23)15-18-7-9-30(10-8-18)17(2)32/h4-6,11-13,18H,7-10,14-15H2,1-3H3,(H,25,33).
What are the key properties of 4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 68724898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).