N,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide

C20H27N3O — CID 166223288

IUPACN,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide
SMILESCC(NC(C(=O)N(C)C)C(C)C)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C20H27N3O/c1-14(2)19(20(24)23(4)5)22-15(3)17-7-6-8-18(13-17)16-9-11-21-12-10-16/h6-15,19,22H,1-5H3
InChIKeySFDKDRBQLYOBEX-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.51
Rot. Bonds6

About N,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide

N,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide (PubChem CID 166223288) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide.

Molecular Properties

Compound NameN,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide
PubChem CID166223288
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide
SMILESCC(NC(C(=O)N(C)C)C(C)C)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C20H27N3O/c1-14(2)19(20(24)23(4)5)22-15(3)17-7-6-8-18(13-17)16-9-11-21-12-10-16/h6-15,19,22H,1-5H3
InChIKeySFDKDRBQLYOBEX-UHFFFAOYSA-N
XLogP3.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate
CID 138987849
3-methyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]butanoic acid
CID 103258930
(3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide
CID 97323209
3-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-methyl-1-[1-(3-pyridin-4-ylphenyl)ethyl]urea
CID 155949079
2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675083
2-hydroxy-N,N-dimethyl-2-pyridin-3-ylacetamide
CID 83529938
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
(1R)-1-[3-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]ethanol
CID 15321486
2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 74430495
2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid
CID 103258955
(2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide
CID 101070351
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide?
The IUPAC name of N,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide (CID 166223288) is N,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide.
What is the SMILES notation for N,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide?
The canonical SMILES for N,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide is CC(NC(C(=O)N(C)C)C(C)C)c1cccc(-c2ccncc2)c1.
What is the InChIKey of N,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide?
The InChIKey is SFDKDRBQLYOBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14(2)19(20(24)23(4)5)22-15(3)17-7-6-8-18(13-17)16-9-11-21-12-10-16/h6-15,19,22H,1-5H3.
What are the key properties of N,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide?
N,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide has a molecular weight of 325.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide is sourced from PubChem (CID 166223288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).