N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C13H11ClN2O2 — CID 4988689

IUPACN-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cccnc2Cl)o1
InChIInChI=1S/C13H11ClN2O2/c1-9-4-5-10(18-9)6-7-12(17)16-11-3-2-8-15-13(11)14/h2-8H,1H3,(H,16,17)
InChIKeyHJCPPVCGWDAVCX-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.29
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide

N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 4988689) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID4988689
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC NameN-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cccnc2Cl)o1
InChIInChI=1S/C13H11ClN2O2/c1-9-4-5-10(18-9)6-7-12(17)16-11-3-2-8-15-13(11)14/h2-8H,1H3,(H,16,17)
InChIKeyHJCPPVCGWDAVCX-UHFFFAOYSA-N
XLogP3.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47234593
3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide
CID 721179
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide
CID 874993
2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]pyridine-3-carboxylic acid
CID 77003732
(E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 897086
N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71904712
(E)-N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 6183154
3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393608
N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4676638
(2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate
CID 72686983
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 4988689) is N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(C=CC(=O)Nc2cccnc2Cl)o1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is HJCPPVCGWDAVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-9-4-5-10(18-9)6-7-12(17)16-11-3-2-8-15-13(11)14/h2-8H,1H3,(H,16,17).
What are the key properties of N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 262.70 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 4988689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).