2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide

C27H32N6O4 — CID 166650707

IUPAC2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
SMILESO=C(Cc1ccc(-n2cc(CN(Cc3ccccn3)Cc3ccccn3)[nH]2)cc1)NC(CO)(CO)CO
InChIInChI=1S/C27H32N6O4/c34-18-27(19-35,20-36)30-26(37)13-21-7-9-25(10-8-21)33-17-24(31-33)16-32(14-22-5-1-3-11-28-22)15-23-6-2-4-12-29-23/h1-12,17,31,34-36H,13-16,18-20H2,(H,30,37)
InChIKeyWOLFGGGZUIXBRW-UHFFFAOYSA-N
MW504.59 g/mol
LogP1.17
Rot. Bonds13

About 2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide

2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide (PubChem CID 166650707) has the molecular formula C27H32N6O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is 2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
PubChem CID166650707
Molecular FormulaC27H32N6O4
Molecular Weight504.59 g/mol
Exact Mass504.25
IUPAC Name2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
SMILESO=C(Cc1ccc(-n2cc(CN(Cc3ccccn3)Cc3ccccn3)[nH]2)cc1)NC(CO)(CO)CO
InChIInChI=1S/C27H32N6O4/c34-18-27(19-35,20-36)30-26(37)13-21-7-9-25(10-8-21)33-17-24(31-33)16-32(14-22-5-1-3-11-28-22)15-23-6-2-4-12-29-23/h1-12,17,31,34-36H,13-16,18-20H2,(H,30,37)
InChIKeyWOLFGGGZUIXBRW-UHFFFAOYSA-N
XLogP1.17
TPSA139.53 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 51.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide with MolForge

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-2-ylacetamide
CID 107845294
2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]phenyl]acetic acid
CID 134263999
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
CID 59434890
CID 59434890
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
methyl 2-[4-[[2-[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methylamino]acetyl]amino]phenyl]acetate
CID 134274898
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259
osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 171575278
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
1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone
CID 23937849
2-[[[5-oxo-6-[4-(sulfinoamino)phenyl]hexyl]-(pyridin-2-ylmethyl)amino]methyl]pyridine
CID 162300903
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The IUPAC name of 2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide (CID 166650707) is 2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The canonical SMILES for 2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide is O=C(Cc1ccc(-n2cc(CN(Cc3ccccn3)Cc3ccccn3)[nH]2)cc1)NC(CO)(CO)CO.
What is the InChIKey of 2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The InChIKey is WOLFGGGZUIXBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O4/c34-18-27(19-35,20-36)30-26(37)13-21-7-9-25(10-8-21)33-17-24(31-33)16-32(14-22-5-1-3-11-28-22)15-23-6-2-4-12-29-23/h1-12,17,31,34-36H,13-16,18-20H2,(H,30,37).
What are the key properties of 2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide has a molecular weight of 504.59 g/mol, XLogP of 1.17, 13 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1H-diazet-2-yl]phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide is sourced from PubChem (CID 166650707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).