2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide

C29H30N4O — CID 67007975

IUPAC2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2ccccc2)c1C(C)N(c1cccnc1)c1cccnc1
InChIInChI=1S/C29H30N4O/c1-4-32(5-2)29(34)27-17-9-16-26(23-12-7-6-8-13-23)28(27)22(3)33(24-14-10-18-30-20-24)25-15-11-19-31-21-25/h6-22H,4-5H2,1-3H3
InChIKeyAZTRQOLDHCODPY-UHFFFAOYSA-N
MW450.59 g/mol
LogP6.52
Rot. Bonds8

About 2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide

2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide (PubChem CID 67007975) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is 2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide.

Molecular Properties

Compound Name2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide
PubChem CID67007975
Molecular FormulaC29H30N4O
Molecular Weight450.59 g/mol
Exact Mass450.24
IUPAC Name2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2ccccc2)c1C(C)N(c1cccnc1)c1cccnc1
InChIInChI=1S/C29H30N4O/c1-4-32(5-2)29(34)27-17-9-16-26(23-12-7-6-8-13-23)28(27)22(3)33(24-14-10-18-30-20-24)25-15-11-19-31-21-25/h6-22H,4-5H2,1-3H3
InChIKeyAZTRQOLDHCODPY-UHFFFAOYSA-N
XLogP6.52
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide 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-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile
CID 67008197
N,N-diethyl-2-(2-methyl-6-phenylphenyl)pyridine-3-carboxamide
CID 118319221
3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide
CID 71173121
N,N-diethylisoquinoline-5-carboxamide
CID 86202974
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide
CID 159832085
N,N-diphenyl-6-pyridin-3-ylpyridin-3-amine
CID 15982920
N,N-diethyl-3-pyridin-3-ylbutanamide
CID 110649111
1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
CID 46932084
N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide
CID 110648244
N-benzyl-N-ethylisoquinoline-8-carboxamide
CID 110851851
3-[[2-[2-[methyl(pyridin-3-yl)carbamoyl]phenyl]benzoyl]-(3-phenylpropyl)amino]propanoic acid
CID 69428460

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide?
The IUPAC name of 2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide (CID 67007975) is 2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide.
What is the SMILES notation for 2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide?
The canonical SMILES for 2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide is CCN(CC)C(=O)c1cccc(-c2ccccc2)c1C(C)N(c1cccnc1)c1cccnc1.
What is the InChIKey of 2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide?
The InChIKey is AZTRQOLDHCODPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c1-4-32(5-2)29(34)27-17-9-16-26(23-12-7-6-8-13-23)28(27)22(3)33(24-14-10-18-30-20-24)25-15-11-19-31-21-25/h6-22H,4-5H2,1-3H3.
What are the key properties of 2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide?
2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide has a molecular weight of 450.59 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide is sourced from PubChem (CID 67007975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).