N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide

C20H28N4O — CID 119644073

IUPACN-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H28N4O/c1-5-20(21,6-2)14-23-19(25)17-11-16(12-22-13-17)15-7-9-18(10-8-15)24(3)4/h7-13H,5-6,14,21H2,1-4H3,(H,23,25)
InChIKeyIQACMWUPEQEBHQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.06
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide

N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide (PubChem CID 119644073) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
PubChem CID119644073
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H28N4O/c1-5-20(21,6-2)14-23-19(25)17-11-16(12-22-13-17)15-7-9-18(10-8-15)24(3)4/h7-13H,5-6,14,21H2,1-4H3,(H,23,25)
InChIKeyIQACMWUPEQEBHQ-UHFFFAOYSA-N
XLogP3.06
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4487
Niaprazine
CID 71919
Nicaraven
CID 71234
N-(4-pyridyl)benzamide
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3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
Nicotinanilide
CID 74463
N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 3530525
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
Phenatine
CID 120640
Nicotinic acid benzylamide
CID 98499
Nicodicosapent
CID 50991753

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide (CID 119644073) is N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide is CCC(N)(CC)CNC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is IQACMWUPEQEBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-20(21,6-2)14-23-19(25)17-11-16(12-22-13-17)15-7-9-18(10-8-15)24(3)4/h7-13H,5-6,14,21H2,1-4H3,(H,23,25).
What are the key properties of N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 119644073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).