N-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide

C30H39N7O12 — CID 54746410

IUPACN-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide
SMILESO=C(NCCN(CCNC(=O)c1c(O)c(=O)ccn1CCO)CCNC(=O)c1c(O)c(=O)ccn1CCO)c1c(O)c(=O)ccn1CCO
InChIInChI=1S/C30H39N7O12/c38-16-13-35-7-1-19(41)25(44)22(35)28(47)31-4-10-34(11-5-32-29(48)23-26(45)20(42)2-8-36(23)14-17-39)12-6-33-30(49)24-27(46)21(43)3-9-37(24)15-18-40/h1-3,7-9,38-40,44-46H,4-6,10-18H2,(H,31,47)(H,32,48)(H,33,49)
InChIKeyZCCVGGUZKNCZAL-UHFFFAOYSA-N
MW689.68 g/mol
LogP-3.84
Rot. Bonds18

About N-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide

N-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide (PubChem CID 54746410) has the molecular formula C30H39N7O12 and a molecular weight of 689.68 g/mol. Its IUPAC name is N-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide
PubChem CID54746410
Molecular FormulaC30H39N7O12
Molecular Weight689.68 g/mol
Exact Mass689.27
IUPAC NameN-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide
SMILESO=C(NCCN(CCNC(=O)c1c(O)c(=O)ccn1CCO)CCNC(=O)c1c(O)c(=O)ccn1CCO)c1c(O)c(=O)ccn1CCO
InChIInChI=1S/C30H39N7O12/c38-16-13-35-7-1-19(41)25(44)22(35)28(47)31-4-10-34(11-5-32-29(48)23-26(45)20(42)2-8-36(23)14-17-39)12-6-33-30(49)24-27(46)21(43)3-9-37(24)15-18-40/h1-3,7-9,38-40,44-46H,4-6,10-18H2,(H,31,47)(H,32,48)(H,33,49)
InChIKeyZCCVGGUZKNCZAL-UHFFFAOYSA-N
XLogP-3.84
TPSA277.92 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500689.68
LogP ≤ 5-3.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide?
The IUPAC name of N-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide (CID 54746410) is N-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide.
What is the SMILES notation for N-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide?
The canonical SMILES for N-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide is O=C(NCCN(CCNC(=O)c1c(O)c(=O)ccn1CCO)CCNC(=O)c1c(O)c(=O)ccn1CCO)c1c(O)c(=O)ccn1CCO.
What is the InChIKey of N-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide?
The InChIKey is ZCCVGGUZKNCZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O12/c38-16-13-35-7-1-19(41)25(44)22(35)28(47)31-4-10-34(11-5-32-29(48)23-26(45)20(42)2-8-36(23)14-17-39)12-6-33-30(49)24-27(46)21(43)3-9-37(24)15-18-40/h1-3,7-9,38-40,44-46H,4-6,10-18H2,(H,31,47)(H,32,48)(H,33,49).
What are the key properties of N-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide?
N-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide has a molecular weight of 689.68 g/mol, XLogP of -3.84, 18 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-[[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 54746410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).