N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide

C34H36N6O4 — CID 10984801

IUPACN-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2cccc(CCc3cccc(C(=O)Nc4cccc(NC(=O)CCC)n4)c3)c2)n1
InChIInChI=1S/C34H36N6O4/c1-3-9-31(41)37-27-15-7-17-29(35-27)39-33(43)25-13-5-11-23(21-25)19-20-24-12-6-14-26(22-24)34(44)40-30-18-8-16-28(36-30)38-32(42)10-4-2/h5-8,11-18,21-22H,3-4,9-10,19-20H2,1-2H3,(H2,35,37,39,41,43)(H2,36,38,40,42,44)
InChIKeyUTQUJADEEBZNJJ-UHFFFAOYSA-N
MW592.70 g/mol
LogP6.24
Rot. Bonds13

About N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide

N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide (PubChem CID 10984801) has the molecular formula C34H36N6O4 and a molecular weight of 592.70 g/mol. Its IUPAC name is N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide
PubChem CID10984801
Molecular FormulaC34H36N6O4
Molecular Weight592.70 g/mol
Exact Mass592.28
IUPAC NameN-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2cccc(CCc3cccc(C(=O)Nc4cccc(NC(=O)CCC)n4)c3)c2)n1
InChIInChI=1S/C34H36N6O4/c1-3-9-31(41)37-27-15-7-17-29(35-27)39-33(43)25-13-5-11-23(21-25)19-20-24-12-6-14-26(22-24)34(44)40-30-18-8-16-28(36-30)38-32(42)10-4-2/h5-8,11-18,21-22H,3-4,9-10,19-20H2,1-2H3,(H2,35,37,39,41,43)(H2,36,38,40,42,44)
InChIKeyUTQUJADEEBZNJJ-UHFFFAOYSA-N
XLogP6.24
TPSA142.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 56.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide?
The IUPAC name of N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide (CID 10984801) is N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide.
What is the SMILES notation for N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide?
The canonical SMILES for N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide is CCCC(=O)Nc1cccc(NC(=O)c2cccc(CCc3cccc(C(=O)Nc4cccc(NC(=O)CCC)n4)c3)c2)n1.
What is the InChIKey of N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide?
The InChIKey is UTQUJADEEBZNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O4/c1-3-9-31(41)37-27-15-7-17-29(35-27)39-33(43)25-13-5-11-23(21-25)19-20-24-12-6-14-26(22-24)34(44)40-30-18-8-16-28(36-30)38-32(42)10-4-2/h5-8,11-18,21-22H,3-4,9-10,19-20H2,1-2H3,(H2,35,37,39,41,43)(H2,36,38,40,42,44).
What are the key properties of N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide?
N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide has a molecular weight of 592.70 g/mol, XLogP of 6.24, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 10984801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).