1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide

C24H24N4O2 — CID 178099700

IUPAC1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide
SMILESCNC(=O)C(NC(=O)C1(c2cccc(-c3ccnc(N)c3)c2)CC1)c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-26-22(29)21(16-6-3-2-4-7-16)28-23(30)24(11-12-24)19-9-5-8-17(14-19)18-10-13-27-20(25)15-18/h2-10,13-15,21H,11-12H2,1H3,(H2,25,27)(H,26,29)(H,28,30)
InChIKeyIFEBASDBZWHFBR-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.97
Rot. Bonds6

About 1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide

1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide (PubChem CID 178099700) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide
PubChem CID178099700
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide
SMILESCNC(=O)C(NC(=O)C1(c2cccc(-c3ccnc(N)c3)c2)CC1)c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-26-22(29)21(16-6-3-2-4-7-16)28-23(30)24(11-12-24)19-9-5-8-17(14-19)18-10-13-27-20(25)15-18/h2-10,13-15,21H,11-12H2,1H3,(H2,25,27)(H,26,29)(H,28,30)
InChIKeyIFEBASDBZWHFBR-UHFFFAOYSA-N
XLogP2.97
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide (CID 178099700) is 1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide is CNC(=O)C(NC(=O)C1(c2cccc(-c3ccnc(N)c3)c2)CC1)c1ccccc1.
What is the InChIKey of 1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide?
The InChIKey is IFEBASDBZWHFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-26-22(29)21(16-6-3-2-4-7-16)28-23(30)24(11-12-24)19-9-5-8-17(14-19)18-10-13-27-20(25)15-18/h2-10,13-15,21H,11-12H2,1H3,(H2,25,27)(H,26,29)(H,28,30).
What are the key properties of 1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide?
1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-4-pyridinyl)phenyl]-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 178099700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).