2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid

C20H22N2O5 — CID 122055429

IUPAC2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid
SMILESCOc1cccc(CN(CC2CCCO2)C(=O)c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C20H22N2O5/c1-26-16-5-2-4-14(10-16)12-22(13-17-6-3-9-27-17)19(23)18-11-15(20(24)25)7-8-21-18/h2,4-5,7-8,10-11,17H,3,6,9,12-13H2,1H3,(H,24,25)
InChIKeyORQYQRSFMKDTPN-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.61
Rot. Bonds7

About 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid

2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122055429) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid
PubChem CID122055429
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid
SMILESCOc1cccc(CN(CC2CCCO2)C(=O)c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C20H22N2O5/c1-26-16-5-2-4-14(10-16)12-22(13-17-6-3-9-27-17)19(23)18-11-15(20(24)25)7-8-21-18/h2,4-5,7-8,10-11,17H,3,6,9,12-13H2,1H3,(H,24,25)
InChIKeyORQYQRSFMKDTPN-UHFFFAOYSA-N
XLogP2.61
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 75387976
3-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124611067
N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide
CID 44779998
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124591748
3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95050157
4,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 86847436
3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 51121582
N-[(3-methoxyphenyl)methyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1157396
N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 56540159
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
4-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025010
3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 42501340

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid (CID 122055429) is 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid is COc1cccc(CN(CC2CCCO2)C(=O)c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is ORQYQRSFMKDTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-26-16-5-2-4-14(10-16)12-22(13-17-6-3-9-27-17)19(23)18-11-15(20(24)25)7-8-21-18/h2,4-5,7-8,10-11,17H,3,6,9,12-13H2,1H3,(H,24,25).
What are the key properties of 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid?
2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).