6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid

C26H25N5O3 — CID 118665404

IUPAC6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid
SMILESCc1cnc2c(C(=O)O)cc(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)cc2c1
InChIInChI=1S/C26H25N5O3/c1-14-6-19-8-17(10-21(26(33)34)24(19)29-12-14)9-20-11-18(4-5-28-20)25(32)30-13-22-15(2)7-23(27)31-16(22)3/h4-8,10-12H,9,13H2,1-3H3,(H2,27,31)(H,30,32)(H,33,34)
InChIKeyIDXZVLZJXGFXKF-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.75
Rot. Bonds6

About 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid

6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid (PubChem CID 118665404) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid.

Molecular Properties

Compound Name6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid
PubChem CID118665404
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid
SMILESCc1cnc2c(C(=O)O)cc(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)cc2c1
InChIInChI=1S/C26H25N5O3/c1-14-6-19-8-17(10-21(26(33)34)24(19)29-12-14)9-20-11-18(4-5-28-20)25(32)30-13-22-15(2)7-23(27)31-16(22)3/h4-8,10-12H,9,13H2,1-3H3,(H2,27,31)(H,30,32)(H,33,34)
InChIKeyIDXZVLZJXGFXKF-UHFFFAOYSA-N
XLogP3.75
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid?
The IUPAC name of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid (CID 118665404) is 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid.
What is the SMILES notation for 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid?
The canonical SMILES for 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid is Cc1cnc2c(C(=O)O)cc(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)cc2c1.
What is the InChIKey of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid?
The InChIKey is IDXZVLZJXGFXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-14-6-19-8-17(10-21(26(33)34)24(19)29-12-14)9-20-11-18(4-5-28-20)25(32)30-13-22-15(2)7-23(27)31-16(22)3/h4-8,10-12H,9,13H2,1-3H3,(H2,27,31)(H,30,32)(H,33,34).
What are the key properties of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid?
6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid has a molecular weight of 455.52 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid is sourced from PubChem (CID 118665404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).