N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide

C16H19N3O2 — CID 4112248

IUPACN-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide
SMILESCOc1ccc(CN(CCNC=O)c2ccccn2)cc1
InChIInChI=1S/C16H19N3O2/c1-21-15-7-5-14(6-8-15)12-19(11-10-17-13-20)16-4-2-3-9-18-16/h2-9,13H,10-12H2,1H3,(H,17,20)
InChIKeyXFUREOITKIFVPB-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.84
Rot. Bonds8

About N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide

N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide (PubChem CID 4112248) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide
PubChem CID4112248
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide
SMILESCOc1ccc(CN(CCNC=O)c2ccccn2)cc1
InChIInChI=1S/C16H19N3O2/c1-21-15-7-5-14(6-8-15)12-19(11-10-17-13-20)16-4-2-3-9-18-16/h2-9,13H,10-12H2,1H3,(H,17,20)
InChIKeyXFUREOITKIFVPB-UHFFFAOYSA-N
XLogP1.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-3-iodophenyl)-N-[5-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]pentyl]acetamide
CID 15295738
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide
CID 69440503
N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 101492526
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide
CID 35573662
N-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide
CID 118588777
N-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide
CID 90518448
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine
CID 110174431
N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CID 70976609
N-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
CID 54757948
1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone
CID 57402472
N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine
CID 166382610

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide (CID 4112248) is N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide is COc1ccc(CN(CCNC=O)c2ccccn2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide?
The InChIKey is XFUREOITKIFVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-15-7-5-14(6-8-15)12-19(11-10-17-13-20)16-4-2-3-9-18-16/h2-9,13H,10-12H2,1H3,(H,17,20).
What are the key properties of N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide?
N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide has a molecular weight of 285.35 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide is sourced from PubChem (CID 4112248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).