2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid

C19H20N4O2 — CID 72880555

IUPAC2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid
SMILESCc1cccnc1CN(C)C(C(=O)O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C19H20N4O2/c1-13-4-3-10-20-17(13)12-23(2)18(19(24)25)15-7-5-14(6-8-15)16-9-11-21-22-16/h3-11,18H,12H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyUVGKDJPOZKGNOR-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.04
Rot. Bonds6

About 2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid

2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid (PubChem CID 72880555) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid
PubChem CID72880555
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid
SMILESCc1cccnc1CN(C)C(C(=O)O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C19H20N4O2/c1-13-4-3-10-20-17(13)12-23(2)18(19(24)25)15-7-5-14(6-8-15)16-9-11-21-22-16/h3-11,18H,12H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyUVGKDJPOZKGNOR-UHFFFAOYSA-N
XLogP3.04
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid?
The IUPAC name of 2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid (CID 72880555) is 2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid?
The canonical SMILES for 2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid is Cc1cccnc1CN(C)C(C(=O)O)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid?
The InChIKey is UVGKDJPOZKGNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-4-3-10-20-17(13)12-23(2)18(19(24)25)15-7-5-14(6-8-15)16-9-11-21-22-16/h3-11,18H,12H2,1-2H3,(H,21,22)(H,24,25).
What are the key properties of 2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid?
2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid has a molecular weight of 336.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid is sourced from PubChem (CID 72880555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).