6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide

C28H30N8O — CID 155689257

IUPAC6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(N2CCN(C)CC2)c1
InChIInChI=1S/C28H30N8O/c1-19-13-23(16-24(14-19)36-11-9-35(3)10-12-36)32-27(37)22-15-26(20(2)31-18-22)34-28-30-8-6-25(33-28)21-5-4-7-29-17-21/h4-8,13-18H,9-12H2,1-3H3,(H,32,37)(H,30,33,34)
InChIKeyQUIQFVLCODBSFH-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.30
Rot. Bonds6

About 6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide

6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide (PubChem CID 155689257) has the molecular formula C28H30N8O and a molecular weight of 494.60 g/mol. Its IUPAC name is 6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
PubChem CID155689257
Molecular FormulaC28H30N8O
Molecular Weight494.60 g/mol
Exact Mass494.25
IUPAC Name6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(N2CCN(C)CC2)c1
InChIInChI=1S/C28H30N8O/c1-19-13-23(16-24(14-19)36-11-9-35(3)10-12-36)32-27(37)22-15-26(20(2)31-18-22)34-28-30-8-6-25(33-28)21-5-4-7-29-17-21/h4-8,13-18H,9-12H2,1-3H3,(H,32,37)(H,30,33,34)
InChIKeyQUIQFVLCODBSFH-UHFFFAOYSA-N
XLogP4.30
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 155688875
3-(4-methylpiperazin-1-yl)-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 155689009
N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 155689277
6-methyl-N-[3-methyl-5-(1-propylpiperidin-3-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 155689043
6-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 11956490
N-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]phenyl]-6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 155688921
6-methyl-N-[3-(1-propylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 155688978
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 135331304
4-methyl-N-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 155688874
methane;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 66715616
6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 11956491
N-[3-(1-ethylpiperidin-3-yl)-5-(trifluoromethyl)phenyl]-6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 155688878

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide (CID 155689257) is 6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide is Cc1cc(NC(=O)c2cnc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(N2CCN(C)CC2)c1.
What is the InChIKey of 6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide?
The InChIKey is QUIQFVLCODBSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O/c1-19-13-23(16-24(14-19)36-11-9-35(3)10-12-36)32-27(37)22-15-26(20(2)31-18-22)34-28-30-8-6-25(33-28)21-5-4-7-29-17-21/h4-8,13-18H,9-12H2,1-3H3,(H,32,37)(H,30,33,34).
What are the key properties of 6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide?
6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 155689257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).