4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid

C14H14N2O4 — CID 115910403

IUPAC4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1occc1CN(C)C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H14N2O4/c1-9-11(4-6-20-9)8-16(2)13(17)10-3-5-15-12(7-10)14(18)19/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyCOGUQODHQSTGCJ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.95
Rot. Bonds4

About 4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid

4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 115910403) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID115910403
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1occc1CN(C)C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H14N2O4/c1-9-11(4-6-20-9)8-16(2)13(17)10-3-5-15-12(7-10)14(18)19/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyCOGUQODHQSTGCJ-UHFFFAOYSA-N
XLogP1.95
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730250
4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730122
N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049964
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426906
6-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 66463145
4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 104782708
4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 80976057
3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426369
4-[2-methoxyethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112555193
5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 107253049
2-[4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]triazol-1-yl]acetic acid
CID 66288132
2-(dimethylamino)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 56819277

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid (CID 115910403) is 4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid is Cc1occc1CN(C)C(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is COGUQODHQSTGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-11(4-6-20-9)8-16(2)13(17)10-3-5-15-12(7-10)14(18)19/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of 4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115910403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).