5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide

C28H24N4O4 — CID 153331831

IUPAC5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(C=O)cn2)cccc1-c1cccc(NC(O)c2ccc(C=O)cn2)c1C
InChIInChI=1S/C28H24N4O4/c1-17-21(5-3-7-23(17)31-27(35)25-11-9-19(15-33)13-29-25)22-6-4-8-24(18(22)2)32-28(36)26-12-10-20(16-34)14-30-26/h3-16,27,31,35H,1-2H3,(H,32,36)
InChIKeyFZTXKXVSGZXDRZ-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.74
Rot. Bonds8

About 5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide

5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide (PubChem CID 153331831) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is 5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
PubChem CID153331831
Molecular FormulaC28H24N4O4
Molecular Weight480.52 g/mol
Exact Mass480.18
IUPAC Name5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(C=O)cn2)cccc1-c1cccc(NC(O)c2ccc(C=O)cn2)c1C
InChIInChI=1S/C28H24N4O4/c1-17-21(5-3-7-23(17)31-27(35)25-11-9-19(15-33)13-29-25)22-6-4-8-24(18(22)2)32-28(36)26-12-10-20(16-34)14-30-26/h3-16,27,31,35H,1-2H3,(H,32,36)
InChIKeyFZTXKXVSGZXDRZ-UHFFFAOYSA-N
XLogP4.74
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N'-(2,2'-Dimethyl-[1,1'-biphenyl]-3,3'-diyl)bis(5-(((2-hydroxyethyl)amino)methyl)picolinamide)
CID 139537190
N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide
CID 134475006
US11459339, Example 5
CID 139375166
US11459339, Example 8
CID 153331860
N-[3-(2-hydroxypropan-2-yl)phenyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
CID 117609889
N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide
CID 134474969
5-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]-N-[3-[3-[[5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
CID 177381639
N-[3-[3-[[5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]pyridine-2-carboxamide
CID 177381640
N-[3-[3-[[5-[[bis(2-hydroxyethyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-[(3-hydroxypropylamino)methyl]pyridine-2-carboxamide
CID 177381641
N-[3-[3-[[5-[[1,3-dihydroxypropan-2-yl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-[(3-hydroxypropylamino)methyl]pyridine-2-carboxamide
CID 177381642
N-[3-[3-[[5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-[(3-hydroxypropylamino)methyl]pyridine-2-carboxamide
CID 177381644
N-[3-[3-[[5-[[bis(2-hydroxyethyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboxamide
CID 177381645

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of 5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide (CID 153331831) is 5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide is Cc1c(NC(=O)c2ccc(C=O)cn2)cccc1-c1cccc(NC(O)c2ccc(C=O)cn2)c1C.
What is the InChIKey of 5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
The InChIKey is FZTXKXVSGZXDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4/c1-17-21(5-3-7-23(17)31-27(35)25-11-9-19(15-33)13-29-25)22-6-4-8-24(18(22)2)32-28(36)26-12-10-20(16-34)14-30-26/h3-16,27,31,35H,1-2H3,(H,32,36).
What are the key properties of 5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide has a molecular weight of 480.52 g/mol, XLogP of 4.74, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-[3-[3-[[(5-formyl-2-pyridinyl)-hydroxymethyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 153331831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).