carbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide

C37H53N7O15 — CID 69383002

IUPACcarbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide
SMILESCCCC(CN(CCNC(=O)c1ccn(CCOC)c(=O)c1O)CCNC(=O)c1ccn(CCOC)c(=O)c1O)NC(=O)c1ccn(CCOC)c(=O)c1O.O=C(O)O
InChIInChI=1S/C36H51N7O12.CH2O3/c1-5-6-24(39-33(49)27-9-14-43(19-22-55-4)36(52)30(27)46)23-40(15-10-37-31(47)25-7-12-41(17-20-53-2)34(50)28(25)44)16-11-38-32(48)26-8-13-42(18-21-54-3)35(51)29(26)45;2-1(3)4/h7-9,12-14,24,44-46H,5-6,10-11,15-23H2,1-4H3,(H,37,47)(H,38,48)(H,39,49);(H2,2,3,4)
InChIKeyKNVAPGDSERVWJN-UHFFFAOYSA-N
MW835.86 g/mol
LogP-0.49
Rot. Bonds23

About carbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide

carbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide (PubChem CID 69383002) has the molecular formula C37H53N7O15 and a molecular weight of 835.86 g/mol. Its IUPAC name is carbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Namecarbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide
PubChem CID69383002
Molecular FormulaC37H53N7O15
Molecular Weight835.86 g/mol
Exact Mass835.36
IUPAC Namecarbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide
SMILESCCCC(CN(CCNC(=O)c1ccn(CCOC)c(=O)c1O)CCNC(=O)c1ccn(CCOC)c(=O)c1O)NC(=O)c1ccn(CCOC)c(=O)c1O.O=C(O)O
InChIInChI=1S/C36H51N7O12.CH2O3/c1-5-6-24(39-33(49)27-9-14-43(19-22-55-4)36(52)30(27)46)23-40(15-10-37-31(47)25-7-12-41(17-20-53-2)34(50)28(25)44)16-11-38-32(48)26-8-13-42(18-21-54-3)35(51)29(26)45;2-1(3)4/h7-9,12-14,24,44-46H,5-6,10-11,15-23H2,1-4H3,(H,37,47)(H,38,48)(H,39,49);(H2,2,3,4)
InChIKeyKNVAPGDSERVWJN-UHFFFAOYSA-N
XLogP-0.49
TPSA302.45 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500835.86
LogP ≤ 5-0.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze carbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide?
The IUPAC name of carbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide (CID 69383002) is carbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide.
What is the SMILES notation for carbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide?
The canonical SMILES for carbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide is CCCC(CN(CCNC(=O)c1ccn(CCOC)c(=O)c1O)CCNC(=O)c1ccn(CCOC)c(=O)c1O)NC(=O)c1ccn(CCOC)c(=O)c1O.O=C(O)O.
What is the InChIKey of carbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide?
The InChIKey is KNVAPGDSERVWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H51N7O12.CH2O3/c1-5-6-24(39-33(49)27-9-14-43(19-22-55-4)36(52)30(27)46)23-40(15-10-37-31(47)25-7-12-41(17-20-53-2)34(50)28(25)44)16-11-38-32(48)26-8-13-42(18-21-54-3)35(51)29(26)45;2-1(3)4/h7-9,12-14,24,44-46H,5-6,10-11,15-23H2,1-4H3,(H,37,47)(H,38,48)(H,39,49);(H2,2,3,4).
What are the key properties of carbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide?
carbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide has a molecular weight of 835.86 g/mol, XLogP of -0.49, 23 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 69383002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).