N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide

C20H28N4O — CID 119657225

IUPACN-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H28N4O/c1-20(2,13-21)14-24(5)19(25)17-10-16(11-22-12-17)15-6-8-18(9-7-15)23(3)4/h6-12H,13-14,21H2,1-5H3
InChIKeyRASBANVQDYWVLV-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.87
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide (PubChem CID 119657225) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide
PubChem CID119657225
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H28N4O/c1-20(2,13-21)14-24(5)19(25)17-10-16(11-22-12-17)15-6-8-18(9-7-15)23(3)4/h6-12H,13-14,21H2,1-5H3
InChIKeyRASBANVQDYWVLV-UHFFFAOYSA-N
XLogP2.87
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide (CID 119657225) is N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide is CN(CC(C)(C)CN)C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide?
The InChIKey is RASBANVQDYWVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(2,13-21)14-24(5)19(25)17-10-16(11-22-12-17)15-6-8-18(9-7-15)23(3)4/h6-12H,13-14,21H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 119657225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).