1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea

C20H17N7O3 — CID 166230867

IUPAC1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
SMILESCc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1-n1cnnn1
InChIInChI=1S/C20H17N7O3/c1-12-6-7-15(10-17(12)27-11-21-25-26-27)22-20(30)24-23-19(29)16-8-13-4-2-3-5-14(13)9-18(16)28/h2-11,28H,1H3,(H,23,29)(H2,22,24,30)
InChIKeyFFIWMBDMFVIWDA-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.30
Rot. Bonds3

About 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea

1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea (PubChem CID 166230867) has the molecular formula C20H17N7O3 and a molecular weight of 403.40 g/mol. Its IUPAC name is 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
PubChem CID166230867
Molecular FormulaC20H17N7O3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC Name1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
SMILESCc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1-n1cnnn1
InChIInChI=1S/C20H17N7O3/c1-12-6-7-15(10-17(12)27-11-21-25-26-27)22-20(30)24-23-19(29)16-8-13-4-2-3-5-14(13)9-18(16)28/h2-11,28H,1H3,(H,23,29)(H2,22,24,30)
InChIKeyFFIWMBDMFVIWDA-UHFFFAOYSA-N
XLogP2.30
TPSA134.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
CID 24819542
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2,2-diphenylacetamide
CID 39226018
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 61260669
2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788200
N'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide
CID 94205346
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
2-[2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569427
3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 62728665
1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 78872958

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea (CID 166230867) is 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea is Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1-n1cnnn1.
What is the InChIKey of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
The InChIKey is FFIWMBDMFVIWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O3/c1-12-6-7-15(10-17(12)27-11-21-25-26-27)22-20(30)24-23-19(29)16-8-13-4-2-3-5-14(13)9-18(16)28/h2-11,28H,1H3,(H,23,29)(H2,22,24,30).
What are the key properties of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea has a molecular weight of 403.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 166230867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).