4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide

C28H27N5O2 — CID 168930705

IUPAC4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCCc1cnc(-c2cc(NC(=O)c3ccnc(C)c3)ccc2C)cc1-c1ccnc(C(=O)NC)c1
InChIInChI=1S/C28H27N5O2/c1-5-19-16-32-25(15-24(19)20-8-11-31-26(13-20)28(35)29-4)23-14-22(7-6-17(23)2)33-27(34)21-9-10-30-18(3)12-21/h6-16H,5H2,1-4H3,(H,29,35)(H,33,34)
InChIKeyJUQJKTCZJBDGOF-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.00
Rot. Bonds6

About 4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide

4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide (PubChem CID 168930705) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide
PubChem CID168930705
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCCc1cnc(-c2cc(NC(=O)c3ccnc(C)c3)ccc2C)cc1-c1ccnc(C(=O)NC)c1
InChIInChI=1S/C28H27N5O2/c1-5-19-16-32-25(15-24(19)20-8-11-31-26(13-20)28(35)29-4)23-14-22(7-6-17(23)2)33-27(34)21-9-10-30-18(3)12-21/h6-16H,5H2,1-4H3,(H,29,35)(H,33,34)
InChIKeyJUQJKTCZJBDGOF-UHFFFAOYSA-N
XLogP5.00
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide
CID 168929427
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 168930703
6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
CID 168930025
N-[3-[2-[2-[hydroxy(methylamino)methyl]-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 170107176
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
N-methyl-4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]pyridine-2-carboxamide
CID 168930262
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide
CID 169024539
N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide
CID 106754238
5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide
CID 176565436
N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide
CID 168929908
4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide
CID 169024632
N-[3-[2-(2-hydroxypropan-2-yl)-6-(2-methyl-4-pyridinyl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930288

Frequently Asked Questions

What is the IUPAC name of 4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide (CID 168930705) is 4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide is CCc1cnc(-c2cc(NC(=O)c3ccnc(C)c3)ccc2C)cc1-c1ccnc(C(=O)NC)c1.
What is the InChIKey of 4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide?
The InChIKey is JUQJKTCZJBDGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-5-19-16-32-25(15-24(19)20-8-11-31-26(13-20)28(35)29-4)23-14-22(7-6-17(23)2)33-27(34)21-9-10-30-18(3)12-21/h6-16H,5H2,1-4H3,(H,29,35)(H,33,34).
What are the key properties of 4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide?
4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 168930705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).