N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide

C22H18N6O — CID 164558005

IUPACN-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2ccc(Nc3cccc4nc(C#N)cn34)cc2)cc1
InChIInChI=1S/C22H18N6O/c1-24-16-7-5-15(6-8-16)22(29)27-18-11-9-17(10-12-18)25-20-3-2-4-21-26-19(13-23)14-28(20)21/h2-12,14,24-25H,1H3,(H,27,29)
InChIKeyBMJUMEVGQRAOLE-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.24
Rot. Bonds5

About N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide

N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide (PubChem CID 164558005) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide
PubChem CID164558005
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC NameN-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2ccc(Nc3cccc4nc(C#N)cn34)cc2)cc1
InChIInChI=1S/C22H18N6O/c1-24-16-7-5-15(6-8-16)22(29)27-18-11-9-17(10-12-18)25-20-3-2-4-21-26-19(13-23)14-28(20)21/h2-12,14,24-25H,1H3,(H,27,29)
InChIKeyBMJUMEVGQRAOLE-UHFFFAOYSA-N
XLogP4.24
TPSA94.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
CID 167141625
4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
CID 167142282
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide
CID 164558244
1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide
CID 164558481
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
4-[(3-cyanoisoquinolin-5-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 157043859
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
1-N,3-N-bis[3-(methylamino)phenyl]benzene-1,3-dicarboxamide;1-N,4-N-bis[4-(methylamino)phenyl]benzene-1,4-dicarboxamide
CID 158849064
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide
CID 167141708
5-methoxy-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-pyrazole-4-carboxamide
CID 167141611
4-[(2-cyanoquinolin-8-yl)amino]-N-[4-[[(E)-4-ethynyliminobut-2-en-2-yl]amino]phenyl]benzamide
CID 170007922

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide?
The IUPAC name of N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide (CID 164558005) is N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide.
What is the SMILES notation for N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide?
The canonical SMILES for N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide is CNc1ccc(C(=O)Nc2ccc(Nc3cccc4nc(C#N)cn34)cc2)cc1.
What is the InChIKey of N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide?
The InChIKey is BMJUMEVGQRAOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-24-16-7-5-15(6-8-16)22(29)27-18-11-9-17(10-12-18)25-20-3-2-4-21-26-19(13-23)14-28(20)21/h2-12,14,24-25H,1H3,(H,27,29).
What are the key properties of N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide?
N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide has a molecular weight of 382.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide is sourced from PubChem (CID 164558005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).