5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide

C12H12ClN3O2 — CID 114045976

IUPAC5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N)cnc2Cl)o1
InChIInChI=1S/C12H12ClN3O2/c1-7-2-3-9(18-7)6-16-12(17)10-4-8(14)5-15-11(10)13/h2-5H,6,14H2,1H3,(H,16,17)
InChIKeyANNLCCGROXFAIT-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.15
Rot. Bonds3

About 5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide

5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 114045976) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
PubChem CID114045976
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N)cnc2Cl)o1
InChIInChI=1S/C12H12ClN3O2/c1-7-2-3-9(18-7)6-16-12(17)10-4-8(14)5-15-11(10)13/h2-5H,6,14H2,1H3,(H,16,17)
InChIKeyANNLCCGROXFAIT-UHFFFAOYSA-N
XLogP2.15
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523939
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55081452
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 62523594
3-chloro-6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62522719
ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate
CID 114045972
2-hydrazinyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523072
5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 55256173
5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide
CID 114045919
methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate
CID 114046104

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide (CID 114045976) is 5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cc(N)cnc2Cl)o1.
What is the InChIKey of 5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is ANNLCCGROXFAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-7-2-3-9(18-7)6-16-12(17)10-4-8(14)5-15-11(10)13/h2-5H,6,14H2,1H3,(H,16,17).
What are the key properties of 5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide?
5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 114045976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).