2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide

C20H19ClN4O — CID 142791990

IUPAC2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
SMILESNC(=O)C(c1cccc(Cl)c1)N(Cc1ccncc1)Cc1cccnc1
InChIInChI=1S/C20H19ClN4O/c21-18-5-1-4-17(11-18)19(20(22)26)25(13-15-6-9-23-10-7-15)14-16-3-2-8-24-12-16/h1-12,19H,13-14H2,(H2,22,26)
InChIKeyWXHUKPOFWRKBOB-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.36
Rot. Bonds7

About 2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide

2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide (PubChem CID 142791990) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
PubChem CID142791990
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
SMILESNC(=O)C(c1cccc(Cl)c1)N(Cc1ccncc1)Cc1cccnc1
InChIInChI=1S/C20H19ClN4O/c21-18-5-1-4-17(11-18)19(20(22)26)25(13-15-6-9-23-10-7-15)14-16-3-2-8-24-12-16/h1-12,19H,13-14H2,(H2,22,26)
InChIKeyWXHUKPOFWRKBOB-UHFFFAOYSA-N
XLogP3.36
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-yl-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142792038
2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide
CID 142791812
2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide
CID 142792081
2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142792019
(2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 97331831
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 118246949
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 134133885
1-amino-1-(pyridin-3-ylmethyl)urea
CID 155026143
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 97283539
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
2-(3-chlorophenyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 103664114

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide (CID 142791990) is 2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide is NC(=O)C(c1cccc(Cl)c1)N(Cc1ccncc1)Cc1cccnc1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide?
The InChIKey is WXHUKPOFWRKBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-18-5-1-4-17(11-18)19(20(22)26)25(13-15-6-9-23-10-7-15)14-16-3-2-8-24-12-16/h1-12,19H,13-14H2,(H2,22,26).
What are the key properties of 2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide?
2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide has a molecular weight of 366.85 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 142791990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).