2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide

C28H34N4O2 — CID 126644247

IUPAC2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
SMILESCc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(-c3ccc(N(C)C)cc3)cnc2N)cc1C
InChIInChI=1S/C28H34N4O2/c1-18-8-9-20(14-19(18)2)17-34-26-7-5-6-25(26)31-28(33)24-15-22(16-30-27(24)29)21-10-12-23(13-11-21)32(3)4/h8-16,25-26H,5-7,17H2,1-4H3,(H2,29,30)(H,31,33)/t25-,26-/m0/s1
InChIKeyGFNQZVJUGWXFOR-UIOOFZCWSA-N
MW458.61 g/mol
LogP4.88
Rot. Bonds7

About 2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide

2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide (PubChem CID 126644247) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
PubChem CID126644247
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
SMILESCc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(-c3ccc(N(C)C)cc3)cnc2N)cc1C
InChIInChI=1S/C28H34N4O2/c1-18-8-9-20(14-19(18)2)17-34-26-7-5-6-25(26)31-28(33)24-15-22(16-30-27(24)29)21-10-12-23(13-11-21)32(3)4/h8-16,25-26H,5-7,17H2,1-4H3,(H2,29,30)(H,31,33)/t25-,26-/m0/s1
InChIKeyGFNQZVJUGWXFOR-UIOOFZCWSA-N
XLogP4.88
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide (CID 126644247) is 2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide is Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(-c3ccc(N(C)C)cc3)cnc2N)cc1C.
What is the InChIKey of 2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
The InChIKey is GFNQZVJUGWXFOR-UIOOFZCWSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-18-8-9-20(14-19(18)2)17-34-26-7-5-6-25(26)31-28(33)24-15-22(16-30-27(24)29)21-10-12-23(13-11-21)32(3)4/h8-16,25-26H,5-7,17H2,1-4H3,(H2,29,30)(H,31,33)/t25-,26-/m0/s1.
What are the key properties of 2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(dimethylamino)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 126644247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).