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

C24H30N6O3 — CID 70268171

IUPAC4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3nnn(CC4CCC(CO)CC4)n3)cc(C)n2)c1
InChIInChI=1S/C24H30N6O3/c1-16-10-20(23-27-29-30(28-23)14-17-6-8-18(15-31)9-7-17)12-22(26-16)24(32)25-13-19-4-3-5-21(11-19)33-2/h3-5,10-12,17-18,31H,6-9,13-15H2,1-2H3,(H,25,32)
InChIKeyBRPBEMWMZKEJPU-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.78
Rot. Bonds8

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

4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (PubChem CID 70268171) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
PubChem CID70268171
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3nnn(CC4CCC(CO)CC4)n3)cc(C)n2)c1
InChIInChI=1S/C24H30N6O3/c1-16-10-20(23-27-29-30(28-23)14-17-6-8-18(15-31)9-7-17)12-22(26-16)24(32)25-13-19-4-3-5-21(11-19)33-2/h3-5,10-12,17-18,31H,6-9,13-15H2,1-2H3,(H,25,32)
InChIKeyBRPBEMWMZKEJPU-UHFFFAOYSA-N
XLogP2.78
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (CID 70268171) is 4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is COc1cccc(CNC(=O)c2cc(-c3nnn(CC4CCC(CO)CC4)n3)cc(C)n2)c1.
What is the InChIKey of 4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is BRPBEMWMZKEJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-16-10-20(23-27-29-30(28-23)14-17-6-8-18(15-31)9-7-17)12-22(26-16)24(32)25-13-19-4-3-5-21(11-19)33-2/h3-5,10-12,17-18,31H,6-9,13-15H2,1-2H3,(H,25,32).
What are the key properties of 4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 70268171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).