N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine

C25H38N6 — CID 21260450

IUPACN'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(CCN(CC)CC)c1ccc(-c2nc3ncccc3n2C)cc1
InChIInChI=1S/C25H38N6/c1-6-29(7-2)17-19-31(20-18-30(8-3)9-4)22-14-12-21(13-15-22)25-27-24-23(28(25)5)11-10-16-26-24/h10-16H,6-9,17-20H2,1-5H3
InChIKeyRTZWLAUERJJTCD-UHFFFAOYSA-N
MW422.62 g/mol
LogP4.13
Rot. Bonds12

About N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine

N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine (PubChem CID 21260450) has the molecular formula C25H38N6 and a molecular weight of 422.62 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine
PubChem CID21260450
Molecular FormulaC25H38N6
Molecular Weight422.62 g/mol
Exact Mass422.32
IUPAC NameN'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(CCN(CC)CC)c1ccc(-c2nc3ncccc3n2C)cc1
InChIInChI=1S/C25H38N6/c1-6-29(7-2)17-19-31(20-18-30(8-3)9-4)22-14-12-21(13-15-22)25-27-24-23(28(25)5)11-10-16-26-24/h10-16H,6-9,17-20H2,1-5H3
InChIKeyRTZWLAUERJJTCD-UHFFFAOYSA-N
XLogP4.13
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine (CID 21260450) is N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine is CCN(CC)CCN(CCN(CC)CC)c1ccc(-c2nc3ncccc3n2C)cc1.
What is the InChIKey of N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine?
The InChIKey is RTZWLAUERJJTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6/c1-6-29(7-2)17-19-31(20-18-30(8-3)9-4)22-14-12-21(13-15-22)25-27-24-23(28(25)5)11-10-16-26-24/h10-16H,6-9,17-20H2,1-5H3.
What are the key properties of N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine?
N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine has a molecular weight of 422.62 g/mol, XLogP of 4.13, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 21260450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).