6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide

C18H19BrN2O3 — CID 136555154

IUPAC6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCOc1cnccc1CNC(=O)C1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H19BrN2O3/c1-24-16-11-20-7-5-14(16)10-21-17(22)18(23)6-4-12-8-15(19)3-2-13(12)9-18/h2-3,5,7-8,11,23H,4,6,9-10H2,1H3,(H,21,22)
InChIKeyAYVNNXRJYQMGKD-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.39
Rot. Bonds4

About 6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide

6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 136555154) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide
PubChem CID136555154
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCOc1cnccc1CNC(=O)C1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H19BrN2O3/c1-24-16-11-20-7-5-14(16)10-21-17(22)18(23)6-4-12-8-15(19)3-2-13(12)9-18/h2-3,5,7-8,11,23H,4,6,9-10H2,1H3,(H,21,22)
InChIKeyAYVNNXRJYQMGKD-UHFFFAOYSA-N
XLogP2.39
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700612
N-[(2-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18189509
2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104956264
methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63630814
6-bromo-2-ethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115616483
methyl 6-bromo-2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63631176
6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 55249627
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide
CID 126812818
2-[6-bromo-2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetic acid
CID 64527960
4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643
methyl 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63633254

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide (CID 136555154) is 6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide is COc1cnccc1CNC(=O)C1(O)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is AYVNNXRJYQMGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-24-16-11-20-7-5-14(16)10-21-17(22)18(23)6-4-12-8-15(19)3-2-13(12)9-18/h2-3,5,7-8,11,23H,4,6,9-10H2,1H3,(H,21,22).
What are the key properties of 6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide?
6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 136555154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).