N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

C25H24N6O3 — CID 39688585

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)ccc1OCc1ccncc1
InChIInChI=1S/C25H24N6O3/c1-2-33-23-15-19(6-9-22(23)34-16-17-10-12-26-13-11-17)25(32)27-20-5-3-4-18(14-20)24-28-29-30-31(24)21-7-8-21/h3-6,9-15,21H,2,7-8,16H2,1H3,(H,27,32)
InChIKeyWMLNWMJLKCDZGI-UHFFFAOYSA-N
MW456.51 g/mol
LogP4.30
Rot. Bonds9

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 39688585) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID39688585
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)ccc1OCc1ccncc1
InChIInChI=1S/C25H24N6O3/c1-2-33-23-15-19(6-9-22(23)34-16-17-10-12-26-13-11-17)25(32)27-20-5-3-4-18(14-20)24-28-29-30-31(24)21-7-8-21/h3-6,9-15,21H,2,7-8,16H2,1H3,(H,27,32)
InChIKeyWMLNWMJLKCDZGI-UHFFFAOYSA-N
XLogP4.30
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 24590722
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide
CID 41181754
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41182442
3,4-diethoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873297
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide
CID 55565798
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 41172527
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 24590707
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 17493906
3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55840543
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
3-ethoxy-N-(3-hydroxyphenyl)-4-phenylmethoxybenzamide
CID 126089788
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 41181443

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (CID 39688585) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)ccc1OCc1ccncc1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is WMLNWMJLKCDZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-2-33-23-15-19(6-9-22(23)34-16-17-10-12-26-13-11-17)25(32)27-20-5-3-4-18(14-20)24-28-29-30-31(24)21-7-8-21/h3-6,9-15,21H,2,7-8,16H2,1H3,(H,27,32).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 456.51 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 39688585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).