5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide

C11H10ClN3O2 — CID 59151549

IUPAC5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccco1
InChIInChI=1S/C11H10ClN3O2/c12-7-4-9(11(14)16)10(13)15(5-7)6-8-2-1-3-17-8/h1-5,13H,6H2,(H2,14,16)/b13-10-
InChIKeyGKRXIRVPMSBCNE-RAXLEYEMSA-N
MW251.67 g/mol
LogP1.36
Rot. Bonds3

About 5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide

5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide (PubChem CID 59151549) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide
PubChem CID59151549
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccco1
InChIInChI=1S/C11H10ClN3O2/c12-7-4-9(11(14)16)10(13)15(5-7)6-8-2-1-3-17-8/h1-5,13H,6H2,(H2,14,16)/b13-10-
InChIKeyGKRXIRVPMSBCNE-RAXLEYEMSA-N
XLogP1.36
TPSA85.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 1083179
1-(2-Furylmethyl)-2-imino-N,8-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 656063
N-(2-Furylmethyl)-2-imino-1-(2-methoxyethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 661238
N-(2-Furylmethyl)-2-imino-1-(2-methoxyethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 2927610
N-(2-Furylmethyl)-2-imino-5-oxo-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 3151312
N-[(furan-2-yl)methyl]-6-imino-7-(3-methoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151446
1-cyclopentyl-N-(2-furanylmethyl)-2-imino-5-oxo-3-dipyrido[1,2-d:3'',4''-f]pyrimidinecarboxamide
CID 1077536
1-Cyclopentyl-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (furan-2-ylmethyl)-amide
CID 1077537
1-Cyclopentyl-2-imino-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (furan-2-ylmethyl)-amide
CID 1077538
N-(2-furylmethyl)-2-imino-1-isopropyl-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 1080188
N-[(furan-2-yl)methyl]-6-imino-7-(2-methoxyethyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151405
Ethyl 1-(2-furylmethyl)-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxylate
CID 1077321

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide (CID 59151549) is 5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccco1.
What is the InChIKey of 5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide?
The InChIKey is GKRXIRVPMSBCNE-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c12-7-4-9(11(14)16)10(13)15(5-7)6-8-2-1-3-17-8/h1-5,13H,6H2,(H2,14,16)/b13-10-.
What are the key properties of 5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide?
5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide has a molecular weight of 251.67 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 59151549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).