N,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine

C29H39N3O4 — CID 142644066

IUPACN,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCCCNCCOc1ccc(-c2cc(-c3cc(OC)c(OC)cc3OC)nc(N(CC)CC)c2)cc1
InChIInChI=1S/C29H39N3O4/c1-7-14-30-15-16-36-23-12-10-21(11-13-23)22-17-25(31-29(18-22)32(8-2)9-3)24-19-27(34-5)28(35-6)20-26(24)33-4/h10-13,17-20,30H,7-9,14-16H2,1-6H3
InChIKeyDMTAYPZGUOJFBZ-UHFFFAOYSA-N
MW493.65 g/mol
LogP5.67
Rot. Bonds14

About N,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine

N,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine (PubChem CID 142644066) has the molecular formula C29H39N3O4 and a molecular weight of 493.65 g/mol. Its IUPAC name is N,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine
PubChem CID142644066
Molecular FormulaC29H39N3O4
Molecular Weight493.65 g/mol
Exact Mass493.29
IUPAC NameN,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCCCNCCOc1ccc(-c2cc(-c3cc(OC)c(OC)cc3OC)nc(N(CC)CC)c2)cc1
InChIInChI=1S/C29H39N3O4/c1-7-14-30-15-16-36-23-12-10-21(11-13-23)22-17-25(31-29(18-22)32(8-2)9-3)24-19-27(34-5)28(35-6)20-26(24)33-4/h10-13,17-20,30H,7-9,14-16H2,1-6H3
InChIKeyDMTAYPZGUOJFBZ-UHFFFAOYSA-N
XLogP5.67
TPSA65.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-methylphenyl)phenoxy]ethyl]propan-1-amine
CID 63516073
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline
CID 139830449
5-(4-methoxyphenoxy)-N-propylpentan-1-amine
CID 55077240
N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
CID 28879106
4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112881558
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine?
The IUPAC name of N,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine (CID 142644066) is N,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for N,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for N,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine is CCCNCCOc1ccc(-c2cc(-c3cc(OC)c(OC)cc3OC)nc(N(CC)CC)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine?
The InChIKey is DMTAYPZGUOJFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O4/c1-7-14-30-15-16-36-23-12-10-21(11-13-23)22-17-25(31-29(18-22)32(8-2)9-3)24-19-27(34-5)28(35-6)20-26(24)33-4/h10-13,17-20,30H,7-9,14-16H2,1-6H3.
What are the key properties of N,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine?
N,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine has a molecular weight of 493.65 g/mol, XLogP of 5.67, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 142644066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).