N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide

C20H20ClN5O — CID 22594113

IUPACN-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1Nc1cc(Cl)ncn1
InChIInChI=1S/C20H20ClN5O/c1-13-7-8-15(10-17(13)25-19-11-18(21)22-12-23-19)24-20(27)14-5-4-6-16(9-14)26(2)3/h4-12H,1-3H3,(H,24,27)(H,22,23,25)
InChIKeyCWJWJSKOIAZXGW-UHFFFAOYSA-N
MW381.87 g/mol
LogP4.50
Rot. Bonds5

About N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide

N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide (PubChem CID 22594113) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide
PubChem CID22594113
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC NameN-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1Nc1cc(Cl)ncn1
InChIInChI=1S/C20H20ClN5O/c1-13-7-8-15(10-17(13)25-19-11-18(21)22-12-23-19)24-20(27)14-5-4-6-16(9-14)26(2)3/h4-12H,1-3H3,(H,24,27)(H,22,23,25)
InChIKeyCWJWJSKOIAZXGW-UHFFFAOYSA-N
XLogP4.50
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide
CID 57174436
3-(dimethylamino)-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzamide
CID 73331320
1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 79033222
N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide
CID 22291047
N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide
CID 22291070
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide
CID 22057965
3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide
CID 150182067
3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide
CID 54439190

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide (CID 22594113) is N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide is Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1Nc1cc(Cl)ncn1.
What is the InChIKey of N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide?
The InChIKey is CWJWJSKOIAZXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-13-7-8-15(10-17(13)25-19-11-18(21)22-12-23-19)24-20(27)14-5-4-6-16(9-14)26(2)3/h4-12H,1-3H3,(H,24,27)(H,22,23,25).
What are the key properties of N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide?
N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide has a molecular weight of 381.87 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 22594113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).