1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea

C24H26N8O — CID 15658010

IUPAC1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1NC(=O)NC
InChIInChI=1S/C24H26N8O/c1-3-15-32(23-21(9-6-14-26-23)27-24(33)25-2)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)22-28-30-31-29-22/h4-14H,3,15-16H2,1-2H3,(H2,25,27,33)(H,28,29,30,31)
InChIKeySCHBFFKDUKJEIR-UHFFFAOYSA-N
MW442.53 g/mol
LogP4.10
Rot. Bonds8

About 1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea

1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea (PubChem CID 15658010) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is 1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea
PubChem CID15658010
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1NC(=O)NC
InChIInChI=1S/C24H26N8O/c1-3-15-32(23-21(9-6-14-26-23)27-24(33)25-2)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)22-28-30-31-29-22/h4-14H,3,15-16H2,1-2H3,(H2,25,27,33)(H,28,29,30,31)
InChIKeySCHBFFKDUKJEIR-UHFFFAOYSA-N
XLogP4.10
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea?
The IUPAC name of 1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea (CID 15658010) is 1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea.
What is the SMILES notation for 1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea?
The canonical SMILES for 1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea is CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1NC(=O)NC.
What is the InChIKey of 1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea?
The InChIKey is SCHBFFKDUKJEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-3-15-32(23-21(9-6-14-26-23)27-24(33)25-2)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)22-28-30-31-29-22/h4-14H,3,15-16H2,1-2H3,(H2,25,27,33)(H,28,29,30,31).
What are the key properties of 1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea?
1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea has a molecular weight of 442.53 g/mol, XLogP of 4.10, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]urea is sourced from PubChem (CID 15658010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).