3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide

C21H28N4O2 — CID 118770912

IUPAC3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCCc1ccc(CN(C)C(=O)Nc2cccc(CCC(=O)N(C)C)c2)nc1
InChIInChI=1S/C21H28N4O2/c1-5-16-9-11-19(22-14-16)15-25(4)21(27)23-18-8-6-7-17(13-18)10-12-20(26)24(2)3/h6-9,11,13-14H,5,10,12,15H2,1-4H3,(H,23,27)
InChIKeyGQBBUTLKNNSBCD-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.33
Rot. Bonds7

About 3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide

3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 118770912) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID118770912
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCCc1ccc(CN(C)C(=O)Nc2cccc(CCC(=O)N(C)C)c2)nc1
InChIInChI=1S/C21H28N4O2/c1-5-16-9-11-19(22-14-16)15-25(4)21(27)23-18-8-6-7-17(13-18)10-12-20(26)24(2)3/h6-9,11,13-14H,5,10,12,15H2,1-4H3,(H,23,27)
InChIKeyGQBBUTLKNNSBCD-UHFFFAOYSA-N
XLogP3.33
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide
CID 118772927
3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54813784
1-butyl-3-(3-ethylphenyl)-1-methylurea
CID 5202320
1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868172
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 56752041
3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431118
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
CID 65345894
3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide
CID 90652400
N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide
CID 72857348
ethyl (E)-4-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-4-oxobut-2-enoate
CID 43912125
N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide
CID 43912146

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide (CID 118770912) is 3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide is CCc1ccc(CN(C)C(=O)Nc2cccc(CCC(=O)N(C)C)c2)nc1.
What is the InChIKey of 3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is GQBBUTLKNNSBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-5-16-9-11-19(22-14-16)15-25(4)21(27)23-18-8-6-7-17(13-18)10-12-20(26)24(2)3/h6-9,11,13-14H,5,10,12,15H2,1-4H3,(H,23,27).
What are the key properties of 3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 368.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 118770912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).