3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide

C23H21N5O3 — CID 36569080

IUPAC3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2cc1OCc1nnnn1C1CC1
InChIInChI=1S/C23H21N5O3/c1-30-20-9-5-4-8-19(20)24-23(29)18-12-15-6-2-3-7-16(15)13-21(18)31-14-22-25-26-27-28(22)17-10-11-17/h2-9,12-13,17H,10-11,14H2,1H3,(H,24,29)
InChIKeySDJLNVGJKIYCSQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.00
Rot. Bonds7

About 3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide

3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide (PubChem CID 36569080) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
PubChem CID36569080
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2cc1OCc1nnnn1C1CC1
InChIInChI=1S/C23H21N5O3/c1-30-20-9-5-4-8-19(20)24-23(29)18-12-15-6-2-3-7-16(15)13-21(18)31-14-22-25-26-27-28(22)17-10-11-17/h2-9,12-13,17H,10-11,14H2,1H3,(H,24,29)
InChIKeySDJLNVGJKIYCSQ-UHFFFAOYSA-N
XLogP4.00
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 56817067
3-[(1-cyclopropyltetrazol-5-yl)methoxy]-2-methylbenzoic acid
CID 82827132
3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 98750791
3-[2-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 98750790
3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 26217134
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate
CID 18093375
3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 32512845
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methoxyphenyl)ethanone
CID 18098938
2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 69361719
N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide
CID 46537603

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide (CID 36569080) is 3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide is COc1ccccc1NC(=O)c1cc2ccccc2cc1OCc1nnnn1C1CC1.
What is the InChIKey of 3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is SDJLNVGJKIYCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-30-20-9-5-4-8-19(20)24-23(29)18-12-15-6-2-3-7-16(15)13-21(18)31-14-22-25-26-27-28(22)17-10-11-17/h2-9,12-13,17H,10-11,14H2,1H3,(H,24,29).
What are the key properties of 3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 36569080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).