5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide

C12H12ClN3O2 — CID 114045921

IUPAC5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc(N)cnc1Cl
InChIInChI=1S/C12H12ClN3O2/c1-16(7-9-3-2-4-18-9)12(17)10-5-8(14)6-15-11(10)13/h2-6H,7,14H2,1H3
InChIKeyHNILVYZSOKMGCM-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.18
Rot. Bonds3

About 5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide

5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide (PubChem CID 114045921) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
PubChem CID114045921
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc(N)cnc1Cl
InChIInChI=1S/C12H12ClN3O2/c1-16(7-9-3-2-4-18-9)12(17)10-5-8(14)6-15-11(10)13/h2-6H,7,14H2,1H3
InChIKeyHNILVYZSOKMGCM-UHFFFAOYSA-N
XLogP2.18
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 43526535
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528
2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 55246430
2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide
CID 54878485
2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide
CID 18290744
3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide
CID 112750794
N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide
CID 27739527
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61117952
5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide
CID 36703097
2-amino-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62787665

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide (CID 114045921) is 5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide is CN(Cc1ccco1)C(=O)c1cc(N)cnc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is HNILVYZSOKMGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-16(7-9-3-2-4-18-9)12(17)10-5-8(14)6-15-11(10)13/h2-6H,7,14H2,1H3.
What are the key properties of 5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide?
5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 114045921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).