N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide

C19H23N3O — CID 50964552

IUPACN-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(c1cccc(-c2ccc(NC(=O)C3CC3)nc2)c1)N(C)C
InChIInChI=1S/C19H23N3O/c1-13(22(2)3)15-5-4-6-16(11-15)17-9-10-18(20-12-17)21-19(23)14-7-8-14/h4-6,9-14H,7-8H2,1-3H3,(H,20,21,23)
InChIKeyYTLMXXQUDQOCED-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.72
Rot. Bonds5

About N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide

N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 50964552) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID50964552
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(c1cccc(-c2ccc(NC(=O)C3CC3)nc2)c1)N(C)C
InChIInChI=1S/C19H23N3O/c1-13(22(2)3)15-5-4-6-16(11-15)17-9-10-18(20-12-17)21-19(23)14-7-8-14/h4-6,9-14H,7-8H2,1-3H3,(H,20,21,23)
InChIKeyYTLMXXQUDQOCED-UHFFFAOYSA-N
XLogP3.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide (CID 50964552) is N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide is CC(c1cccc(-c2ccc(NC(=O)C3CC3)nc2)c1)N(C)C.
What is the InChIKey of N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is YTLMXXQUDQOCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13(22(2)3)15-5-4-6-16(11-15)17-9-10-18(20-12-17)21-19(23)14-7-8-14/h4-6,9-14H,7-8H2,1-3H3,(H,20,21,23).
What are the key properties of N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 50964552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).