2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid

C14H15N5O4 — CID 108793421

IUPAC2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid
SMILESCc1c(C(=O)NCC(=O)NCC(=O)O)cnn1-c1ccccn1
InChIInChI=1S/C14H15N5O4/c1-9-10(6-18-19(9)11-4-2-3-5-15-11)14(23)17-7-12(20)16-8-13(21)22/h2-6H,7-8H2,1H3,(H,16,20)(H,17,23)(H,21,22)
InChIKeyOODANCIXPUNPRU-UHFFFAOYSA-N
MW317.31 g/mol
LogP-0.49
Rot. Bonds6

About 2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid

2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 108793421) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID108793421
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid
SMILESCc1c(C(=O)NCC(=O)NCC(=O)O)cnn1-c1ccccn1
InChIInChI=1S/C14H15N5O4/c1-9-10(6-18-19(9)11-4-2-3-5-15-11)14(23)17-7-12(20)16-8-13(21)22/h2-6H,7-8H2,1H3,(H,16,20)(H,17,23)(H,21,22)
InChIKeyOODANCIXPUNPRU-UHFFFAOYSA-N
XLogP-0.49
TPSA126.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108793390
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111484404
3-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108745436
2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793355
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111662368
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 137150738
ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate
CID 108805316

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid (CID 108793421) is 2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid is Cc1c(C(=O)NCC(=O)NCC(=O)O)cnn1-c1ccccn1.
What is the InChIKey of 2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is OODANCIXPUNPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-9-10(6-18-19(9)11-4-2-3-5-15-11)14(23)17-7-12(20)16-8-13(21)22/h2-6H,7-8H2,1H3,(H,16,20)(H,17,23)(H,21,22).
What are the key properties of 2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 317.31 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 108793421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).