N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine

C16H21N3O — CID 63591094

IUPACN-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCOc1cccc(NCCCN(C)c2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-19(14-8-4-3-5-9-14)13-7-12-17-15-10-6-11-16(18-15)20-2/h3-6,8-11H,7,12-13H2,1-2H3,(H,17,18)
InChIKeyMYRCWWVPNFZNKW-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.03
Rot. Bonds7

About N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine

N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine (PubChem CID 63591094) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine
PubChem CID63591094
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCOc1cccc(NCCCN(C)c2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-19(14-8-4-3-5-9-14)13-7-12-17-15-10-6-11-16(18-15)20-2/h3-6,8-11H,7,12-13H2,1-2H3,(H,17,18)
InChIKeyMYRCWWVPNFZNKW-UHFFFAOYSA-N
XLogP3.03
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine 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

N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
2-[(2-Methylaminoethyl)(P-Methoxybenzyl)Amino]Pyridine
CID 153224
2-Amino-6-methoxypyridine
CID 580053
6-Methoxy-2-methylamino-3-aminopyridine dihydrochloride
CID 5743759
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865599
1-(3-Methoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769376
2-(4-Methoxy-benzylamino)-4,6-dimethyl-nicotinonitrile
CID 975783
1-(4-Methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea
CID 2730951
N-(4-methoxyphenyl)-N'-phenylpyrimidine-4,6-diamine
CID 22432844
1-(4-Methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 790705
(2,6-Dimethyl-pyrimidin-4-yl)-(4-methoxyphenyl)-methylamine
CID 24968379
1-(6-Methoxypyridin-2-yl)piperazine
CID 12200470

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine (CID 63591094) is N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine is COc1cccc(NCCCN(C)c2ccccc2)n1.
What is the InChIKey of N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The InChIKey is MYRCWWVPNFZNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(14-8-4-3-5-9-14)13-7-12-17-15-10-6-11-16(18-15)20-2/h3-6,8-11H,7,12-13H2,1-2H3,(H,17,18).
What are the key properties of N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine?
N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine has a molecular weight of 271.36 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 63591094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).