methyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate

C24H24N6O2 — CID 10873643

IUPACmethyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1C(=O)OC
InChIInChI=1S/C24H24N6O2/c1-3-15-30(23-21(24(31)32-2)9-6-14-25-23)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)22-26-28-29-27-22/h4-14H,3,15-16H2,1-2H3,(H,26,27,28,29)
InChIKeyMFOHNTBVNXUHOA-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.13
Rot. Bonds8

About methyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate

methyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate (PubChem CID 10873643) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is methyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate
PubChem CID10873643
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Namemethyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1C(=O)OC
InChIInChI=1S/C24H24N6O2/c1-3-15-30(23-21(24(31)32-2)9-6-14-25-23)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)22-26-28-29-27-22/h4-14H,3,15-16H2,1-2H3,(H,26,27,28,29)
InChIKeyMFOHNTBVNXUHOA-UHFFFAOYSA-N
XLogP4.13
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate (CID 10873643) is methyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate is CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1C(=O)OC.
What is the InChIKey of methyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate?
The InChIKey is MFOHNTBVNXUHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-3-15-30(23-21(24(31)32-2)9-6-14-25-23)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)22-26-28-29-27-22/h4-14H,3,15-16H2,1-2H3,(H,26,27,28,29).
What are the key properties of methyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate?
methyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate has a molecular weight of 428.50 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 10873643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).