[6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

C19H21N3O4 — CID 129111800

IUPAC[6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)CCC(NC(=O)O)C3)cn1
InChIInChI=1S/C19H21N3O4/c1-2-26-17-8-7-16(11-20-17)21-18(23)14-4-3-13-10-15(22-19(24)25)6-5-12(13)9-14/h3-4,7-9,11,15,22H,2,5-6,10H2,1H3,(H,21,23)(H,24,25)
InChIKeyMNDJHMVQSBRPIQ-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.86
Rot. Bonds5

About [6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

[6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (PubChem CID 129111800) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is [6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.

Molecular Properties

Compound Name[6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
PubChem CID129111800
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name[6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)CCC(NC(=O)O)C3)cn1
InChIInChI=1S/C19H21N3O4/c1-2-26-17-8-7-16(11-20-17)21-18(23)14-4-3-13-10-15(22-19(24)25)6-5-12(13)9-14/h3-4,7-9,11,15,22H,2,5-6,10H2,1H3,(H,21,23)(H,24,25)
InChIKeyMNDJHMVQSBRPIQ-UHFFFAOYSA-N
XLogP2.86
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 129111807
6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 162172495
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methoxybenzamide
CID 104783111
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 107999600
1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea
CID 115759514
6-ethoxy-N-(2-methoxypyrimidin-5-yl)pyridine-3-carboxamide
CID 122301635
2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683489
4-(ethylamino)-N-(6-methoxy-3-pyridinyl)-3-methylbenzamide
CID 63210411
[6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 129111825
5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid
CID 166178703
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549

Frequently Asked Questions

What is the IUPAC name of [6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The IUPAC name of [6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (CID 129111800) is [6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.
What is the SMILES notation for [6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The canonical SMILES for [6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is CCOc1ccc(NC(=O)c2ccc3c(c2)CCC(NC(=O)O)C3)cn1.
What is the InChIKey of [6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The InChIKey is MNDJHMVQSBRPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-2-26-17-8-7-16(11-20-17)21-18(23)14-4-3-13-10-15(22-19(24)25)6-5-12(13)9-14/h3-4,7-9,11,15,22H,2,5-6,10H2,1H3,(H,21,23)(H,24,25).
What are the key properties of [6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
[6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid has a molecular weight of 355.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is sourced from PubChem (CID 129111800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).