5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid

C18H18N2O4 — CID 119137622

IUPAC5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NCc1ccccc1OCC1CC1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C18H18N2O4/c21-17(14-7-8-15(18(22)23)19-10-14)20-9-13-3-1-2-4-16(13)24-11-12-5-6-12/h1-4,7-8,10,12H,5-6,9,11H2,(H,20,21)(H,22,23)
InChIKeyZIOIOYYVKOOUKT-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.50
Rot. Bonds7

About 5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid

5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119137622) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119137622
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NCc1ccccc1OCC1CC1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C18H18N2O4/c21-17(14-7-8-15(18(22)23)19-10-14)20-9-13-3-1-2-4-16(13)24-11-12-5-6-12/h1-4,7-8,10,12H,5-6,9,11H2,(H,20,21)(H,22,23)
InChIKeyZIOIOYYVKOOUKT-UHFFFAOYSA-N
XLogP2.50
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119159652
N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47367776
N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 136527258
5-(cyclobutylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43427412
2-amino-N-[[2-(cyclopropylmethoxy)phenyl]methyl]acetamide
CID 119325506
5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685709
4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid
CID 119165490
N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119786909
6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 64695374
N-[(2-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183440
6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid
CID 123766633
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid (CID 119137622) is 5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid is O=C(NCc1ccccc1OCC1CC1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is ZIOIOYYVKOOUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17(14-7-8-15(18(22)23)19-10-14)20-9-13-3-1-2-4-16(13)24-11-12-5-6-12/h1-4,7-8,10,12H,5-6,9,11H2,(H,20,21)(H,22,23).
What are the key properties of 5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119137622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).