2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide

C18H21N3O — CID 75388106

IUPAC2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide
SMILESO=C(CNC1CC1)Nc1cc(CCc2ccccc2)ccn1
InChIInChI=1S/C18H21N3O/c22-18(13-20-16-8-9-16)21-17-12-15(10-11-19-17)7-6-14-4-2-1-3-5-14/h1-5,10-12,16,20H,6-9,13H2,(H,19,21,22)
InChIKeySBSSZSQQJWSIIO-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.56
Rot. Bonds7

About 2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide

2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide (PubChem CID 75388106) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide
PubChem CID75388106
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide
SMILESO=C(CNC1CC1)Nc1cc(CCc2ccccc2)ccn1
InChIInChI=1S/C18H21N3O/c22-18(13-20-16-8-9-16)21-17-12-15(10-11-19-17)7-6-14-4-2-1-3-5-14/h1-5,10-12,16,20H,6-9,13H2,(H,19,21,22)
InChIKeySBSSZSQQJWSIIO-UHFFFAOYSA-N
XLogP2.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide (CID 75388106) is 2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide is O=C(CNC1CC1)Nc1cc(CCc2ccccc2)ccn1.
What is the InChIKey of 2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide?
The InChIKey is SBSSZSQQJWSIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(13-20-16-8-9-16)21-17-12-15(10-11-19-17)7-6-14-4-2-1-3-5-14/h1-5,10-12,16,20H,6-9,13H2,(H,19,21,22).
What are the key properties of 2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide?
2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide has a molecular weight of 295.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 75388106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).