N-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide

C22H33N5O — CID 102022971

IUPACN-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide
SMILESCN(CCNC(=O)C(C)(C)C)CCN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C22H33N5O/c1-22(2,3)21(28)25-13-14-26(4)15-16-27(17-19-9-5-7-11-23-19)18-20-10-6-8-12-24-20/h5-12H,13-18H2,1-4H3,(H,25,28)
InChIKeyQKVUSJJVXWLMQN-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.57
Rot. Bonds10

About N-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide

N-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide (PubChem CID 102022971) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide
PubChem CID102022971
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC NameN-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide
SMILESCN(CCNC(=O)C(C)(C)C)CCN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C22H33N5O/c1-22(2,3)21(28)25-13-14-26(4)15-16-27(17-19-9-5-7-11-23-19)18-20-10-6-8-12-24-20/h5-12H,13-18H2,1-4H3,(H,25,28)
InChIKeyQKVUSJJVXWLMQN-UHFFFAOYSA-N
XLogP2.57
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15845106
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
2,2-dimethyl-N-[2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111193761
N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
2-hydroxy-N,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
CID 104936654
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
CID 79360655
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide
CID 46961978
2-[bis[2-[carboxymethyl-[2-[2-[carboxymethyl(pyridin-2-ylmethyl)amino]ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 101405847
N-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 58225638

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide (CID 102022971) is N-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide is CN(CCNC(=O)C(C)(C)C)CCN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of N-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is QKVUSJJVXWLMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-22(2,3)21(28)25-13-14-26(4)15-16-27(17-19-9-5-7-11-23-19)18-20-10-6-8-12-24-20/h5-12H,13-18H2,1-4H3,(H,25,28).
What are the key properties of N-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide?
N-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 383.54 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 102022971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).