butanedioic acid;pyridine-3-carboxamide

C10H12N2O5 — CID 159465776

IUPACbutanedioic acid;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C(O)CCC(=O)O
InChIInChI=1S/C6H6N2O.C4H6O4/c7-6(9)5-2-1-3-8-4-5;5-3(6)1-2-4(7)8/h1-4H,(H2,7,9);1-2H2,(H,5,6)(H,7,8)
InChIKeyLVDUDAFYFSQKMX-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.12
Rot. Bonds4

About butanedioic acid;pyridine-3-carboxamide

butanedioic acid;pyridine-3-carboxamide (PubChem CID 159465776) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is butanedioic acid;pyridine-3-carboxamide.

Molecular Properties

Compound Namebutanedioic acid;pyridine-3-carboxamide
PubChem CID159465776
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Namebutanedioic acid;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C(O)CCC(=O)O
InChIInChI=1S/C6H6N2O.C4H6O4/c7-6(9)5-2-1-3-8-4-5;5-3(6)1-2-4(7)8/h1-4H,(H2,7,9);1-2H2,(H,5,6)(H,7,8)
InChIKeyLVDUDAFYFSQKMX-UHFFFAOYSA-N
XLogP0.12
TPSA130.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzene;pyridine-3-carboxamide
CID 66766032
oxalic acid;pyridine-3-carboxamide
CID 69110411
methane;pyridine-3-carboxamide
CID 19390506
CID 175154223
CID 175154223
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
4-carbamoylbenzoic acid;pyridine-3-carboxamide
CID 70159642
potassium;ethene;pyridine-3-carboxamide
CID 174767244
octadec-2-enedioic acid;pyridine-3-carboxamide
CID 175122961
platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate
CID 139153914
4-aminobenzoic acid;pyridine-3-carboxamide
CID 23082444
ethyl benzoate;pyridine-3-carboxamide
CID 175250777
benzenesulfonic acid;pyridine-3-carboxamide
CID 157114692

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;pyridine-3-carboxamide?
The IUPAC name of butanedioic acid;pyridine-3-carboxamide (CID 159465776) is butanedioic acid;pyridine-3-carboxamide.
What is the SMILES notation for butanedioic acid;pyridine-3-carboxamide?
The canonical SMILES for butanedioic acid;pyridine-3-carboxamide is NC(=O)c1cccnc1.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;pyridine-3-carboxamide?
The InChIKey is LVDUDAFYFSQKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C4H6O4/c7-6(9)5-2-1-3-8-4-5;5-3(6)1-2-4(7)8/h1-4H,(H2,7,9);1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;pyridine-3-carboxamide?
butanedioic acid;pyridine-3-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;pyridine-3-carboxamide is sourced from PubChem (CID 159465776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).