2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid

C21H33N3O5 — CID 151435518

IUPAC2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid
SMILESCCCCCCCCCCCNC(=O)c1cnc(C(=O)NCC(=O)O)c(OC)c1
InChIInChI=1S/C21H33N3O5/c1-3-4-5-6-7-8-9-10-11-12-22-20(27)16-13-17(29-2)19(23-14-16)21(28)24-15-18(25)26/h13-14H,3-12,15H2,1-2H3,(H,22,27)(H,24,28)(H,25,26)
InChIKeyPDKJEWQSUGCINL-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.17
Rot. Bonds15

About 2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid

2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid (PubChem CID 151435518) has the molecular formula C21H33N3O5 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid
PubChem CID151435518
Molecular FormulaC21H33N3O5
Molecular Weight407.51 g/mol
Exact Mass407.24
IUPAC Name2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid
SMILESCCCCCCCCCCCNC(=O)c1cnc(C(=O)NCC(=O)O)c(OC)c1
InChIInChI=1S/C21H33N3O5/c1-3-4-5-6-7-8-9-10-11-12-22-20(27)16-13-17(29-2)19(23-14-16)21(28)24-15-18(25)26/h13-14H,3-12,15H2,1-2H3,(H,22,27)(H,24,28)(H,25,26)
InChIKeyPDKJEWQSUGCINL-UHFFFAOYSA-N
XLogP3.17
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-[[5-(3-dodecoxypropylcarbamoyl)-3-methoxypyridine-2-carbonyl]amino]acetate
CID 11857273
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid
CID 155287372
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
heptyl 5-methoxy-6-[(2-octoxy-2-oxoethyl)carbamoyl]pyridine-3-carboxylate
CID 54061155
N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
ethyl 2-[[5-(decylsulfonylcarbamoyl)-3-methoxypyridine-2-carbonyl]amino]acetate
CID 54557989
2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263675
octyl 2-[[5-(3-butoxypropylcarbamoyl)-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
CID 67697944
N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088900
2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid
CID 102131268

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid (CID 151435518) is 2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid is CCCCCCCCCCCNC(=O)c1cnc(C(=O)NCC(=O)O)c(OC)c1.
What is the InChIKey of 2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is PDKJEWQSUGCINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O5/c1-3-4-5-6-7-8-9-10-11-12-22-20(27)16-13-17(29-2)19(23-14-16)21(28)24-15-18(25)26/h13-14H,3-12,15H2,1-2H3,(H,22,27)(H,24,28)(H,25,26).
What are the key properties of 2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid?
2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 407.51 g/mol, XLogP of 3.17, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 151435518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).