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

C23H27FN6O2 — CID 68794188

IUPACN-[(4-fluorophenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cc(-c2nnn(CC3CCC(CO)CC3)n2)cc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C23H27FN6O2/c1-15-10-19(11-21(26-15)23(32)25-12-16-6-8-20(24)9-7-16)22-27-29-30(28-22)13-17-2-4-18(14-31)5-3-17/h6-11,17-18,31H,2-5,12-14H2,1H3,(H,25,32)
InChIKeyVUYILSNTSYLCIA-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.91
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 68794188) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
PubChem CID68794188
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cc(-c2nnn(CC3CCC(CO)CC3)n2)cc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C23H27FN6O2/c1-15-10-19(11-21(26-15)23(32)25-12-16-6-8-20(24)9-7-16)22-27-29-30(28-22)13-17-2-4-18(14-31)5-3-17/h6-11,17-18,31H,2-5,12-14H2,1H3,(H,25,32)
InChIKeyVUYILSNTSYLCIA-UHFFFAOYSA-N
XLogP2.91
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide (CID 68794188) is N-[(4-fluorophenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide is Cc1cc(-c2nnn(CC3CCC(CO)CC3)n2)cc(C(=O)NCc2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is VUYILSNTSYLCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2/c1-15-10-19(11-21(26-15)23(32)25-12-16-6-8-20(24)9-7-16)22-27-29-30(28-22)13-17-2-4-18(14-31)5-3-17/h6-11,17-18,31H,2-5,12-14H2,1H3,(H,25,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 68794188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).