2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide

C20H28N4O — CID 109167699

IUPAC2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1cc(C(=O)NCCN(C)C)ccn1
InChIInChI=1S/C20H28N4O/c1-16(2)24(15-17-8-6-5-7-9-17)19-14-18(10-11-21-19)20(25)22-12-13-23(3)4/h5-11,14,16H,12-13,15H2,1-4H3,(H,22,25)
InChIKeyNEBGCGBTWXHFIY-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.79
Rot. Bonds8

About 2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide

2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide (PubChem CID 109167699) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
PubChem CID109167699
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1cc(C(=O)NCCN(C)C)ccn1
InChIInChI=1S/C20H28N4O/c1-16(2)24(15-17-8-6-5-7-9-17)19-14-18(10-11-21-19)20(25)22-12-13-23(3)4/h5-11,14,16H,12-13,15H2,1-4H3,(H,22,25)
InChIKeyNEBGCGBTWXHFIY-UHFFFAOYSA-N
XLogP2.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 84574435
2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109175151
2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109171578
2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109175172
[2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109166421
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide
CID 109167828
6-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366753
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
3-[benzyl(methyl)amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 110355481
2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide
CID 109246544
4-N-[2-(dimethylamino)ethyl]-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109083472
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109173170

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide (CID 109167699) is 2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide is CC(C)N(Cc1ccccc1)c1cc(C(=O)NCCN(C)C)ccn1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is NEBGCGBTWXHFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16(2)24(15-17-8-6-5-7-9-17)19-14-18(10-11-21-19)20(25)22-12-13-23(3)4/h5-11,14,16H,12-13,15H2,1-4H3,(H,22,25).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide?
2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109167699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).