N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide

C17H22N4O — CID 109023421

IUPACN-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
SMILESCN(C)c1ccc(NC(=O)CCNCc2ccccn2)cc1
InChIInChI=1S/C17H22N4O/c1-21(2)16-8-6-14(7-9-16)20-17(22)10-12-18-13-15-5-3-4-11-19-15/h3-9,11,18H,10,12-13H2,1-2H3,(H,20,22)
InChIKeyGQVCKZRWGGYPEM-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.27
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide

N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide (PubChem CID 109023421) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
PubChem CID109023421
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
SMILESCN(C)c1ccc(NC(=O)CCNCc2ccccn2)cc1
InChIInChI=1S/C17H22N4O/c1-21(2)16-8-6-14(7-9-16)20-17(22)10-12-18-13-15-5-3-4-11-19-15/h3-9,11,18H,10,12-13H2,1-2H3,(H,20,22)
InChIKeyGQVCKZRWGGYPEM-UHFFFAOYSA-N
XLogP2.27
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023461
N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023408
N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62832499
N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023392
N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023379
N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023401
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023445
N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012874
N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 2964221
3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109023409
N-(2-phenoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023444
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide (CID 109023421) is N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide is CN(C)c1ccc(NC(=O)CCNCc2ccccn2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide?
The InChIKey is GQVCKZRWGGYPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-21(2)16-8-6-14(7-9-16)20-17(22)10-12-18-13-15-5-3-4-11-19-15/h3-9,11,18H,10,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide?
N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide is sourced from PubChem (CID 109023421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).