[2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid

C21H20N4O3 — CID 18174415

IUPAC[2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccccc1-c1cccc(C(=O)NCCc2ccccn2)n1
InChIInChI=1S/C21H20N4O3/c26-20(23-13-11-16-7-3-4-12-22-16)19-10-5-9-18(25-19)17-8-2-1-6-15(17)14-24-21(27)28/h1-10,12,24H,11,13-14H2,(H,23,26)(H,27,28)
InChIKeyVUGRDRAVTDWGMV-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.88
Rot. Bonds7

About [2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid

[2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid (PubChem CID 18174415) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is [2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid
PubChem CID18174415
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name[2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccccc1-c1cccc(C(=O)NCCc2ccccn2)n1
InChIInChI=1S/C21H20N4O3/c26-20(23-13-11-16-7-3-4-12-22-16)19-10-5-9-18(25-19)17-8-2-1-6-15(17)14-24-21(27)28/h1-10,12,24H,11,13-14H2,(H,23,26)(H,27,28)
InChIKeyVUGRDRAVTDWGMV-UHFFFAOYSA-N
XLogP2.88
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 10590275
2-(2-ethylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 142054987
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
6-amino-N-(2-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 62152173
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
N-[2-(2-hydroxyphenyl)ethyl]pyridine-2-carboxamide
CID 110672365
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
N-[2-(2-methoxyphenyl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306886
2-methyl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 126470552
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 112530253

Frequently Asked Questions

What is the IUPAC name of [2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid?
The IUPAC name of [2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid (CID 18174415) is [2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid.
What is the SMILES notation for [2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid?
The canonical SMILES for [2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid is O=C(O)NCc1ccccc1-c1cccc(C(=O)NCCc2ccccn2)n1.
What is the InChIKey of [2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid?
The InChIKey is VUGRDRAVTDWGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-20(23-13-11-16-7-3-4-12-22-16)19-10-5-9-18(25-19)17-8-2-1-6-15(17)14-24-21(27)28/h1-10,12,24H,11,13-14H2,(H,23,26)(H,27,28).
What are the key properties of [2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid?
[2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid has a molecular weight of 376.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid is sourced from PubChem (CID 18174415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).