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

C35H41N7O6 — CID 172578894

IUPAC2-[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
SMILESO=C(CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1)Nc1ccc(CC(=O)N[C@H]2C(O)OC[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C35H41N7O6/c43-30-24-48-35(47)33(34(30)46)40-31(44)19-25-10-12-26(13-11-25)39-32(45)23-42(22-29-9-3-6-16-38-29)18-17-41(20-27-7-1-4-14-36-27)21-28-8-2-5-15-37-28/h1-16,30,33-35,43,46-47H,17-24H2,(H,39,45)(H,40,44)/t30-,33-,34+,35?/m1/s1
InChIKeyVAIOQQSBQLPXLL-MASDQZAWSA-N
MW655.76 g/mol
LogP1.11
Rot. Bonds15

About 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

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 (PubChem CID 172578894) has the molecular formula C35H41N7O6 and a molecular weight of 655.76 g/mol. Its IUPAC name is 2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]-N-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]acetamide.

Molecular Properties

Compound Name2-[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
PubChem CID172578894
Molecular FormulaC35H41N7O6
Molecular Weight655.76 g/mol
Exact Mass655.31
IUPAC Name2-[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
SMILESO=C(CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1)Nc1ccc(CC(=O)N[C@H]2C(O)OC[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C35H41N7O6/c43-30-24-48-35(47)33(34(30)46)40-31(44)19-25-10-12-26(13-11-25)39-32(45)23-42(22-29-9-3-6-16-38-29)18-17-41(20-27-7-1-4-14-36-27)21-28-8-2-5-15-37-28/h1-16,30,33-35,43,46-47H,17-24H2,(H,39,45)(H,40,44)/t30-,33-,34+,35?/m1/s1
InChIKeyVAIOQQSBQLPXLL-MASDQZAWSA-N
XLogP1.11
TPSA173.27 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.76
LogP ≤ 51.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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
[(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
2-[[[5-oxo-6-[4-(sulfinoamino)phenyl]hexyl]-(pyridin-2-ylmethyl)amino]methyl]pyridine
CID 162300903
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
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-[(3R,4R,5R)-2,4,5-trihydroxyoxan-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-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]acetamide (CID 172578894) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1)Nc1ccc(CC(=O)N[C@H]2C(O)OC[C@@H](O)[C@@H]2O)cc1.
What is the InChIKey of 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?
The InChIKey is VAIOQQSBQLPXLL-MASDQZAWSA-N. The full InChI is InChI=1S/C35H41N7O6/c43-30-24-48-35(47)33(34(30)46)40-31(44)19-25-10-12-26(13-11-25)39-32(45)23-42(22-29-9-3-6-16-38-29)18-17-41(20-27-7-1-4-14-36-27)21-28-8-2-5-15-37-28/h1-16,30,33-35,43,46-47H,17-24H2,(H,39,45)(H,40,44)/t30-,33-,34+,35?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 655.76 g/mol, XLogP of 1.11, 15 rotatable bonds, 5 hydrogen bond donors, and 11 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-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]acetamide is sourced from PubChem (CID 172578894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).