2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid

C19H18N4O4 — CID 162731636

IUPAC2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid
SMILESCc1nc(C(=O)NCC(=O)O)c(O)c(C)c1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H18N4O4/c1-11-16(13-8-21-23(10-13)14-6-4-3-5-7-14)12(2)22-17(18(11)26)19(27)20-9-15(24)25/h3-8,10,26H,9H2,1-2H3,(H,20,27)(H,24,25)
InChIKeyLDWXYKXXQPAXLK-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.07
Rot. Bonds5

About 2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid

2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid (PubChem CID 162731636) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid
PubChem CID162731636
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid
SMILESCc1nc(C(=O)NCC(=O)O)c(O)c(C)c1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H18N4O4/c1-11-16(13-8-21-23(10-13)14-6-4-3-5-7-14)12(2)22-17(18(11)26)19(27)20-9-15(24)25/h3-8,10,26H,9H2,1-2H3,(H,20,27)(H,24,25)
InChIKeyLDWXYKXXQPAXLK-UHFFFAOYSA-N
XLogP2.07
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid (CID 162731636) is 2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid is Cc1nc(C(=O)NCC(=O)O)c(O)c(C)c1-c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is LDWXYKXXQPAXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-11-16(13-8-21-23(10-13)14-6-4-3-5-7-14)12(2)22-17(18(11)26)19(27)20-9-15(24)25/h3-8,10,26H,9H2,1-2H3,(H,20,27)(H,24,25).
What are the key properties of 2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid?
2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 366.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-4,6-dimethyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 162731636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).