2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide

C16H16ClN3O — CID 70907317

IUPAC2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide
SMILESNC(=O)CN[C@H]1CC1c1ccc(-c2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H16ClN3O/c17-12-4-1-10(2-5-12)14-6-3-11(8-19-14)13-7-15(13)20-9-16(18)21/h1-6,8,13,15,20H,7,9H2,(H2,18,21)/t13?,15-/m0/s1
InChIKeyUQVRJMRNLQCLSB-WUJWULDRSA-N
MW301.78 g/mol
LogP2.33
Rot. Bonds5

About 2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide

2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide (PubChem CID 70907317) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide.

Molecular Properties

Compound Name2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide
PubChem CID70907317
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide
SMILESNC(=O)CN[C@H]1CC1c1ccc(-c2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H16ClN3O/c17-12-4-1-10(2-5-12)14-6-3-11(8-19-14)13-7-15(13)20-9-16(18)21/h1-6,8,13,15,20H,7,9H2,(H2,18,21)/t13?,15-/m0/s1
InChIKeyUQVRJMRNLQCLSB-WUJWULDRSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide?
The IUPAC name of 2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide (CID 70907317) is 2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide.
What is the SMILES notation for 2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide?
The canonical SMILES for 2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide is NC(=O)CN[C@H]1CC1c1ccc(-c2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide?
The InChIKey is UQVRJMRNLQCLSB-WUJWULDRSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-12-4-1-10(2-5-12)14-6-3-11(8-19-14)13-7-15(13)20-9-16(18)21/h1-6,8,13,15,20H,7,9H2,(H2,18,21)/t13?,15-/m0/s1.
What are the key properties of 2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide?
2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide has a molecular weight of 301.78 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide is sourced from PubChem (CID 70907317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).