N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide

C17H17N3O2 — CID 655454

IUPACN-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C17H17N3O2/c21-16(10-12-4-2-1-3-5-12)19-14-8-9-15(18-11-14)20-17(22)13-6-7-13/h1-5,8-9,11,13H,6-7,10H2,(H,19,21)(H,18,20,22)
InChIKeyQVXKOPSKLJJCDE-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.61
Rot. Bonds5

About N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide

N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 655454) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID655454
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C17H17N3O2/c21-16(10-12-4-2-1-3-5-12)19-14-8-9-15(18-11-14)20-17(22)13-6-7-13/h1-5,8-9,11,13H,6-7,10H2,(H,19,21)(H,18,20,22)
InChIKeyQVXKOPSKLJJCDE-UHFFFAOYSA-N
XLogP2.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide (CID 655454) is N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide is O=C(Cc1ccccc1)Nc1ccc(NC(=O)C2CC2)nc1.
What is the InChIKey of N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is QVXKOPSKLJJCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16(10-12-4-2-1-3-5-12)19-14-8-9-15(18-11-14)20-17(22)13-6-7-13/h1-5,8-9,11,13H,6-7,10H2,(H,19,21)(H,18,20,22).
What are the key properties of N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 655454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).