N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide

C14H15N3O3 — CID 34737685

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1ccncc1
InChIInChI=1S/C14H15N3O3/c1-17(14(19)11-4-6-15-7-5-11)10-13(18)16-9-12-3-2-8-20-12/h2-8H,9-10H2,1H3,(H,16,18)
InChIKeyOFQAETAQJLOBQV-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.06
Rot. Bonds5

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (PubChem CID 34737685) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
PubChem CID34737685
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1ccncc1
InChIInChI=1S/C14H15N3O3/c1-17(14(19)11-4-6-15-7-5-11)10-13(18)16-9-12-3-2-8-20-12/h2-8H,9-10H2,1H3,(H,16,18)
InChIKeyOFQAETAQJLOBQV-UHFFFAOYSA-N
XLogP1.06
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Furfural isonicotinoylhydrazone
CID 5469568
(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
N-{2-Furan-2-yl-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 2874943
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
N-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254
(2Z)-3-(Furan-2-YL)-2-(phenylformamido)-N-[2-(pyridin-2-YL)ethyl]prop-2-enamide
CID 5765256
N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 841630
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
Triazine-4-carboxamide, 12
CID 44520937
ALP-POS-02c6a514-57
CID 156906932
(2E)-2-cyano-3-[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide
CID 829165
5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 903714

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (CID 34737685) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is CN(CC(=O)NCc1ccco1)C(=O)c1ccncc1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is OFQAETAQJLOBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17(14(19)11-4-6-15-7-5-11)10-13(18)16-9-12-3-2-8-20-12/h2-8H,9-10H2,1H3,(H,16,18).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 34737685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).