N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide

C26H25N7O2 — CID 25234959

IUPACN-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(NC(=O)NCc3cccnc3)cc2)nc1NCc1ccncc1
InChIInChI=1S/C26H25N7O2/c1-27-25(34)22-8-9-23(33-24(22)30-16-18-10-13-28-14-11-18)20-4-6-21(7-5-20)32-26(35)31-17-19-3-2-12-29-15-19/h2-15H,16-17H2,1H3,(H,27,34)(H,30,33)(H2,31,32,35)
InChIKeySVPYBDJTAYTOJM-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.83
Rot. Bonds8

About N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide

N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide (PubChem CID 25234959) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
PubChem CID25234959
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC NameN-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(NC(=O)NCc3cccnc3)cc2)nc1NCc1ccncc1
InChIInChI=1S/C26H25N7O2/c1-27-25(34)22-8-9-23(33-24(22)30-16-18-10-13-28-14-11-18)20-4-6-21(7-5-20)32-26(35)31-17-19-3-2-12-29-15-19/h2-15H,16-17H2,1H3,(H,27,34)(H,30,33)(H2,31,32,35)
InChIKeySVPYBDJTAYTOJM-UHFFFAOYSA-N
XLogP3.83
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-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

1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126473562
2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 68752273
6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126473939
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 25031781
1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea
CID 156824740
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
2-amino-N-methyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide
CID 67079913
1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61340343
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61346078

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide (CID 25234959) is N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide is CNC(=O)c1ccc(-c2ccc(NC(=O)NCc3cccnc3)cc2)nc1NCc1ccncc1.
What is the InChIKey of N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is SVPYBDJTAYTOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-27-25(34)22-8-9-23(33-24(22)30-16-18-10-13-28-14-11-18)20-4-6-21(7-5-20)32-26(35)31-17-19-3-2-12-29-15-19/h2-15H,16-17H2,1H3,(H,27,34)(H,30,33)(H2,31,32,35).
What are the key properties of N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide?
N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.83, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 25234959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).