N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide

C17H21N3O — CID 27888266

IUPACN-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide
SMILESCN(C)c1ccc(CNC(=O)CCc2cccnc2)cc1
InChIInChI=1S/C17H21N3O/c1-20(2)16-8-5-15(6-9-16)13-19-17(21)10-7-14-4-3-11-18-12-14/h3-6,8-9,11-12H,7,10,13H2,1-2H3,(H,19,21)
InChIKeyBXGHYHKKGFSWOT-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.40
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide

N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide (PubChem CID 27888266) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide
PubChem CID27888266
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide
SMILESCN(C)c1ccc(CNC(=O)CCc2cccnc2)cc1
InChIInChI=1S/C17H21N3O/c1-20(2)16-8-5-15(6-9-16)13-19-17(21)10-7-14-4-3-11-18-12-14/h3-6,8-9,11-12H,7,10,13H2,1-2H3,(H,19,21)
InChIKeyBXGHYHKKGFSWOT-UHFFFAOYSA-N
XLogP2.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023573
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide
CID 131936779
3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60755620
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
4-[[4-(dimethylamino)phenyl]methylamino]-4-oxobutanoic acid
CID 54867572
3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 127122248
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578
3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125365
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 35556031

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide (CID 27888266) is N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide is CN(C)c1ccc(CNC(=O)CCc2cccnc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide?
The InChIKey is BXGHYHKKGFSWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(2)16-8-5-15(6-9-16)13-19-17(21)10-7-14-4-3-11-18-12-14/h3-6,8-9,11-12H,7,10,13H2,1-2H3,(H,19,21).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide?
N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide has a molecular weight of 283.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 27888266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).