4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide

C25H23N5O2 — CID 176510143

IUPAC4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2cc(C)c3ccccc3n2)c1
InChIInChI=1S/C25H23N5O2/c1-15-8-4-6-10-19(15)29-23-21(13-17(14-27-23)24(31)26-3)30-25(32)22-12-16(2)18-9-5-7-11-20(18)28-22/h4-14H,1-3H3,(H,26,31)(H,27,29)(H,30,32)
InChIKeyFCOMTZNLDGFLAL-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.60
Rot. Bonds5

About 4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide

4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide (PubChem CID 176510143) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide
PubChem CID176510143
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2cc(C)c3ccccc3n2)c1
InChIInChI=1S/C25H23N5O2/c1-15-8-4-6-10-19(15)29-23-21(13-17(14-27-23)24(31)26-3)30-25(32)22-12-16(2)18-9-5-7-11-20(18)28-22/h4-14H,1-3H3,(H,26,31)(H,27,29)(H,30,32)
InChIKeyFCOMTZNLDGFLAL-UHFFFAOYSA-N
XLogP4.60
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]isoquinoline-1-carboxamide
CID 167512246
5-[(4-fluoro-3,5-dimethylbenzoyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512340
3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 176510148
N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 176510121
8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide
CID 176510169
5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 176510201
N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide
CID 176510162
N-[2-(2-methylanilino)-5-(methylcarbamothioyl)-3-pyridinyl]-1-benzothiophene-3-carboxamide
CID 176510139
N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide
CID 139005259
5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512347
N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide
CID 167511967
ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide
CID 167512450

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide (CID 176510143) is 4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide is CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2cc(C)c3ccccc3n2)c1.
What is the InChIKey of 4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide?
The InChIKey is FCOMTZNLDGFLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-15-8-4-6-10-19(15)29-23-21(13-17(14-27-23)24(31)26-3)30-25(32)22-12-16(2)18-9-5-7-11-20(18)28-22/h4-14H,1-3H3,(H,26,31)(H,27,29)(H,30,32).
What are the key properties of 4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide?
4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide is sourced from PubChem (CID 176510143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).