N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide

C18H24N4O — CID 120884650

IUPACN-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)N(CCN)CCc2ccccc2)ccn1
InChIInChI=1S/C18H24N4O/c1-21(2)17-14-16(8-11-20-17)18(23)22(13-10-19)12-9-15-6-4-3-5-7-15/h3-8,11,14H,9-10,12-13,19H2,1-2H3
InChIKeyKGPGEYQAPRLJRR-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.79
Rot. Bonds7

About N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide

N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide (PubChem CID 120884650) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
PubChem CID120884650
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)N(CCN)CCc2ccccc2)ccn1
InChIInChI=1S/C18H24N4O/c1-21(2)17-14-16(8-11-20-17)18(23)22(13-10-19)12-9-15-6-4-3-5-7-15/h3-8,11,14H,9-10,12-13,19H2,1-2H3
InChIKeyKGPGEYQAPRLJRR-UHFFFAOYSA-N
XLogP1.79
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 120884398
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
3-N-(2-aminoethyl)-1-N-(2,2-dimethylpropyl)-1-N-methyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120886411
2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide
CID 60738878
2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid
CID 61021274
3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid
CID 60989436
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 120886128
3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
CID 120884910

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide (CID 120884650) is N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide is CN(C)c1cc(C(=O)N(CCN)CCc2ccccc2)ccn1.
What is the InChIKey of N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide?
The InChIKey is KGPGEYQAPRLJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21(2)17-14-16(8-11-20-17)18(23)22(13-10-19)12-9-15-6-4-3-5-7-15/h3-8,11,14H,9-10,12-13,19H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide?
N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 120884650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).