2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide

C35H41N7O5 — CID 134275007

IUPAC2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide
SMILESO=C(CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1)Nc1ccc(CC(=O)NC2CC(O)COC2O)cc1
InChIInChI=1S/C35H41N7O5/c43-31-20-32(35(46)47-25-31)40-33(44)19-26-10-12-27(13-11-26)39-34(45)24-42(23-30-9-3-6-16-38-30)18-17-41(21-28-7-1-4-14-36-28)22-29-8-2-5-15-37-29/h1-16,31-32,35,43,46H,17-25H2,(H,39,45)(H,40,44)
InChIKeyFKCABIFVVOMKIW-UHFFFAOYSA-N
MW639.76 g/mol
LogP2.14
Rot. Bonds15

About 2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide

2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide (PubChem CID 134275007) has the molecular formula C35H41N7O5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide
PubChem CID134275007
Molecular FormulaC35H41N7O5
Molecular Weight639.76 g/mol
Exact Mass639.32
IUPAC Name2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide
SMILESO=C(CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1)Nc1ccc(CC(=O)NC2CC(O)COC2O)cc1
InChIInChI=1S/C35H41N7O5/c43-31-20-32(35(46)47-25-31)40-33(44)19-26-10-12-27(13-11-26)39-34(45)24-42(23-30-9-3-6-16-38-30)18-17-41(21-28-7-1-4-14-36-28)22-29-8-2-5-15-37-29/h1-16,31-32,35,43,46H,17-25H2,(H,39,45)(H,40,44)
InChIKeyFKCABIFVVOMKIW-UHFFFAOYSA-N
XLogP2.14
TPSA153.04 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.76
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide 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-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]acetamide
CID 172578894
[(2R,3S,4R,5R)-3,4,6-triacetyloxy-5-[[2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]acetyl]amino]oxan-2-yl]methyl acetate
CID 139489067
2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-methyl-N-[(2S,3S,5S)-2,3,5,6-tetrahydroxyhexyl]acetamide
CID 166650704
2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide
CID 101498940
N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide
CID 155804068
N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide
CID 46999034
methyl 2-[4-[[2-[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methylamino]acetyl]amino]phenyl]acetate
CID 134274898
2-[bis[2-[carboxymethyl-[2-[2-[carboxymethyl(pyridin-2-ylmethyl)amino]ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 101405847
2-[bis(pyridin-2-ylmethyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)acetamide
CID 122381522
2-[[[5-oxo-6-[4-(sulfinoamino)phenyl]hexyl]-(pyridin-2-ylmethyl)amino]methyl]pyridine
CID 162300903
3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 91652991
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide?
The IUPAC name of 2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide (CID 134275007) is 2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide.
What is the SMILES notation for 2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide?
The canonical SMILES for 2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide is O=C(CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1)Nc1ccc(CC(=O)NC2CC(O)COC2O)cc1.
What is the InChIKey of 2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide?
The InChIKey is FKCABIFVVOMKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N7O5/c43-31-20-32(35(46)47-25-31)40-33(44)19-26-10-12-27(13-11-26)39-34(45)24-42(23-30-9-3-6-16-38-30)18-17-41(21-28-7-1-4-14-36-28)22-29-8-2-5-15-37-29/h1-16,31-32,35,43,46H,17-25H2,(H,39,45)(H,40,44).
What are the key properties of 2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide?
2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide has a molecular weight of 639.76 g/mol, XLogP of 2.14, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-(2,5-dihydroxyoxan-3-yl)acetamide is sourced from PubChem (CID 134275007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).