1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea

C24H23N7O2 — CID 55702071

IUPAC1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C24H23N7O2/c32-24(26-15-17-4-3-6-22(14-17)33-16-20-5-1-2-13-25-20)27-19-9-7-18(8-10-19)23-28-29-30-31(23)21-11-12-21/h1-10,13-14,21H,11-12,15-16H2,(H2,26,27,32)
InChIKeyNTAFUZBXAKTUMG-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.97
Rot. Bonds8

About 1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea

1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea (PubChem CID 55702071) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea
PubChem CID55702071
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C24H23N7O2/c32-24(26-15-17-4-3-6-22(14-17)33-16-20-5-1-2-13-25-20)27-19-9-7-18(8-10-19)23-28-29-30-31(23)21-11-12-21/h1-10,13-14,21H,11-12,15-16H2,(H2,26,27,32)
InChIKeyNTAFUZBXAKTUMG-UHFFFAOYSA-N
XLogP3.97
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea with MolForge

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Related Compounds

2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide
CID 134020192
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 30701945
N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide
CID 55698362
2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide
CID 55743101
2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467326
4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide
CID 166255192
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
1-[4-(cyanomethyl)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009274
1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009807
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467325
1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 55712011

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
The IUPAC name of 1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea (CID 55702071) is 1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea is O=C(NCc1cccc(OCc2ccccn2)c1)Nc1ccc(-c2nnnn2C2CC2)cc1.
What is the InChIKey of 1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
The InChIKey is NTAFUZBXAKTUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c32-24(26-15-17-4-3-6-22(14-17)33-16-20-5-1-2-13-25-20)27-19-9-7-18(8-10-19)23-28-29-30-31(23)21-11-12-21/h1-10,13-14,21H,11-12,15-16H2,(H2,26,27,32).
What are the key properties of 1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea has a molecular weight of 441.50 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea is sourced from PubChem (CID 55702071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).