4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide

C21H21N5O2 — CID 142612561

IUPAC4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCC(=O)Nc1cncc(Nc2ccc(-c3ccc(C(=O)N(C)C)cc3)cn2)c1
InChIInChI=1S/C21H21N5O2/c1-14(27)24-18-10-19(13-22-12-18)25-20-9-8-17(11-23-20)15-4-6-16(7-5-15)21(28)26(2)3/h4-13H,1-3H3,(H,23,25)(H,24,27)
InChIKeyPCZUQPZLSPBNPE-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.55
Rot. Bonds5

About 4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide

4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide (PubChem CID 142612561) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide
PubChem CID142612561
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCC(=O)Nc1cncc(Nc2ccc(-c3ccc(C(=O)N(C)C)cc3)cn2)c1
InChIInChI=1S/C21H21N5O2/c1-14(27)24-18-10-19(13-22-12-18)25-20-9-8-17(11-23-20)15-4-6-16(7-5-15)21(28)26(2)3/h4-13H,1-3H3,(H,23,25)(H,24,27)
InChIKeyPCZUQPZLSPBNPE-UHFFFAOYSA-N
XLogP3.55
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-[[5-[(2-cyanoacetyl)amino]-3-pyridinyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 142612601
4-[6-[[5-[3-(3-acetamidophenyl)propanoylamino]-3-pyridinyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 175076884
4-[6-[[5-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]-3-pyridinyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 142612575
tert-butyl N-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]phenyl]carbamate
CID 142612636
3-[2-bromo-4-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]phenyl]propanoic acid
CID 166784761
[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]-3-oxopropyl]phenyl]carbamic acid
CID 155225827
4-[6-[[5-[3-[3-[4-(dimethylamino)but-2-enoylamino]phenyl]propanoylamino]-3-pyridinyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 155225850
2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate
CID 175070848
N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide
CID 142612626
N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide
CID 142612695
N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide
CID 142612328
[1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate
CID 142612539

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide (CID 142612561) is 4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide is CC(=O)Nc1cncc(Nc2ccc(-c3ccc(C(=O)N(C)C)cc3)cn2)c1.
What is the InChIKey of 4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide?
The InChIKey is PCZUQPZLSPBNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14(27)24-18-10-19(13-22-12-18)25-20-9-8-17(11-23-20)15-4-6-16(7-5-15)21(28)26(2)3/h4-13H,1-3H3,(H,23,25)(H,24,27).
What are the key properties of 4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide?
4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide has a molecular weight of 375.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 142612561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).