N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide

C16H19N3O — CID 43720633

IUPACN-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(C)c2ccccn2)cc1
InChIInChI=1S/C16H19N3O/c1-3-16(20)19-14-9-7-13(8-10-14)18-12(2)15-6-4-5-11-17-15/h4-12,18H,3H2,1-2H3,(H,19,20)
InChIKeyDWTMOLVPSDWFEH-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.60
Rot. Bonds5

About N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide

N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide (PubChem CID 43720633) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide
PubChem CID43720633
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(C)c2ccccn2)cc1
InChIInChI=1S/C16H19N3O/c1-3-16(20)19-14-9-7-13(8-10-14)18-12(2)15-6-4-5-11-17-15/h4-12,18H,3H2,1-2H3,(H,19,20)
InChIKeyDWTMOLVPSDWFEH-UHFFFAOYSA-N
XLogP3.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide
CID 43679077
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
N-(4-methylphenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406656
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide
CID 119106523
2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide
CID 43711075
N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81401760
propyl 4-(1-pyridin-2-ylethylamino)benzoate
CID 43139647
4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 41024194
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
N-(4-methoxyphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81393069
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide?
The IUPAC name of N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide (CID 43720633) is N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide.
What is the SMILES notation for N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide?
The canonical SMILES for N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide is CCC(=O)Nc1ccc(NC(C)c2ccccn2)cc1.
What is the InChIKey of N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide?
The InChIKey is DWTMOLVPSDWFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-16(20)19-14-9-7-13(8-10-14)18-12(2)15-6-4-5-11-17-15/h4-12,18H,3H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide?
N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide has a molecular weight of 269.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide is sourced from PubChem (CID 43720633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).