4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide

C15H15N3O — CID 66714526

IUPAC4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc([C@@H]3C[C@H]3N)cn2)cc1
InChIInChI=1S/C15H15N3O/c16-13-7-12(13)11-5-6-14(18-8-11)9-1-3-10(4-2-9)15(17)19/h1-6,8,12-13H,7,16H2,(H2,17,19)/t12-,13+/m0/s1
InChIKeyRMKDKZDDELSJPT-QWHCGFSZSA-N
MW253.30 g/mol
LogP1.66
Rot. Bonds3

About 4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide

4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide (PubChem CID 66714526) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide
PubChem CID66714526
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc([C@@H]3C[C@H]3N)cn2)cc1
InChIInChI=1S/C15H15N3O/c16-13-7-12(13)11-5-6-14(18-8-11)9-1-3-10(4-2-9)15(17)19/h1-6,8,12-13H,7,16H2,(H2,17,19)/t12-,13+/m0/s1
InChIKeyRMKDKZDDELSJPT-QWHCGFSZSA-N
XLogP1.66
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide?
The IUPAC name of 4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide (CID 66714526) is 4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide is NC(=O)c1ccc(-c2ccc([C@@H]3C[C@H]3N)cn2)cc1.
What is the InChIKey of 4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide?
The InChIKey is RMKDKZDDELSJPT-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H15N3O/c16-13-7-12(13)11-5-6-14(18-8-11)9-1-3-10(4-2-9)15(17)19/h1-6,8,12-13H,7,16H2,(H2,17,19)/t12-,13+/m0/s1.
What are the key properties of 4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide?
4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide has a molecular weight of 253.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 66714526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).