N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide

C24H22N6O — CID 56563652

IUPACN-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCc1nc(-c2ccccn2)nc(NCc2cccc(NC(=O)c3ccncc3)c2)c1C
InChIInChI=1S/C24H22N6O/c1-16-17(2)28-23(21-8-3-4-11-26-21)30-22(16)27-15-18-6-5-7-20(14-18)29-24(31)19-9-12-25-13-10-19/h3-14H,15H2,1-2H3,(H,29,31)(H,27,28,30)
InChIKeyJJNDTAPHIVYWMN-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.41
Rot. Bonds6

About N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 56563652) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID56563652
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC NameN-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCc1nc(-c2ccccn2)nc(NCc2cccc(NC(=O)c3ccncc3)c2)c1C
InChIInChI=1S/C24H22N6O/c1-16-17(2)28-23(21-8-3-4-11-26-21)30-22(16)27-15-18-6-5-7-20(14-18)29-24(31)19-9-12-25-13-10-19/h3-14H,15H2,1-2H3,(H,29,31)(H,27,28,30)
InChIKeyJJNDTAPHIVYWMN-UHFFFAOYSA-N
XLogP4.41
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide with MolForge

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Related Compounds

4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide
CID 133290912
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 47061485
ethane;N-[3-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]phenyl]prop-2-enamide
CID 144952657
N-[3-[2-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)ethyl]phenyl]acetamide
CID 148823551
N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56564118
N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 51120966
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133295437
4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide
CID 133319742
N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 60527028
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[(3-hydroxynaphthalene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903332

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide (CID 56563652) is N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide is Cc1nc(-c2ccccn2)nc(NCc2cccc(NC(=O)c3ccncc3)c2)c1C.
What is the InChIKey of N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is JJNDTAPHIVYWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-16-17(2)28-23(21-8-3-4-11-26-21)30-22(16)27-15-18-6-5-7-20(14-18)29-24(31)19-9-12-25-13-10-19/h3-14H,15H2,1-2H3,(H,29,31)(H,27,28,30).
What are the key properties of N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 56563652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).