5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide

C12H12ClN3O2 — CID 114921720

IUPAC5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2ccco2)c(Cl)cn1
InChIInChI=1S/C12H12ClN3O2/c1-14-11-5-9(10(13)7-15-11)12(17)16-6-8-3-2-4-18-8/h2-5,7H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyMVFUCMIWVFHJDJ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.30
Rot. Bonds4

About 5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114921720) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID114921720
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2ccco2)c(Cl)cn1
InChIInChI=1S/C12H12ClN3O2/c1-14-11-5-9(10(13)7-15-11)12(17)16-6-8-3-2-4-18-8/h2-5,7H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyMVFUCMIWVFHJDJ-UHFFFAOYSA-N
XLogP2.30
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114924109
5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 114923162
1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765838
5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 6463310
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 62156043
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 106049955
5-chloro-2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-4-carboxamide
CID 114922853
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924347

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide (CID 114921720) is 5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCc2ccco2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is MVFUCMIWVFHJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-14-11-5-9(10(13)7-15-11)12(17)16-6-8-3-2-4-18-8/h2-5,7H,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114921720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).