5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid

C19H20N2O4 — CID 119159652

IUPAC5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(CNC(=O)c2ccc(C(=O)O)nc2)c(OCC2CC2)c1
InChIInChI=1S/C19H20N2O4/c1-12-2-5-14(17(8-12)25-11-13-3-4-13)9-21-18(22)15-6-7-16(19(23)24)20-10-15/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,21,22)(H,23,24)
InChIKeySNTSUHUSFUJDIN-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.81
Rot. Bonds7

About 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid

5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119159652) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119159652
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(CNC(=O)c2ccc(C(=O)O)nc2)c(OCC2CC2)c1
InChIInChI=1S/C19H20N2O4/c1-12-2-5-14(17(8-12)25-11-13-3-4-13)9-21-18(22)15-6-7-16(19(23)24)20-10-15/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,21,22)(H,23,24)
InChIKeySNTSUHUSFUJDIN-UHFFFAOYSA-N
XLogP2.81
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119137622
6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 71856661
3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide
CID 119811442
N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811417
5-(cyclobutylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43427412
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]urea
CID 97055333
(2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide
CID 119339475
5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 71921983
4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide
CID 120593809
N-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 97052061
4-(aminomethyl)-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide;hydrochloride
CID 119339674
N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119811430

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid (CID 119159652) is 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid is Cc1ccc(CNC(=O)c2ccc(C(=O)O)nc2)c(OCC2CC2)c1.
What is the InChIKey of 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is SNTSUHUSFUJDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-2-5-14(17(8-12)25-11-13-3-4-13)9-21-18(22)15-6-7-16(19(23)24)20-10-15/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119159652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).