N-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C13H15N3O3 — CID 82030552

IUPACN-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESNCCNC(=O)c1ccc(Cn2ccc(=O)cc2)o1
InChIInChI=1S/C13H15N3O3/c14-5-6-15-13(18)12-2-1-11(19-12)9-16-7-3-10(17)4-8-16/h1-4,7-8H,5-6,9,14H2,(H,15,18)
InChIKeyRKEPHXICFGWFCI-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.18
Rot. Bonds5

About N-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 82030552) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide
PubChem CID82030552
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESNCCNC(=O)c1ccc(Cn2ccc(=O)cc2)o1
InChIInChI=1S/C13H15N3O3/c14-5-6-15-13(18)12-2-1-11(19-12)9-16-7-3-10(17)4-8-16/h1-4,7-8H,5-6,9,14H2,(H,15,18)
InChIKeyRKEPHXICFGWFCI-UHFFFAOYSA-N
XLogP0.18
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-5-[(dimethylamino)methyl]furan-2-carboxamide
CID 10104585
N-(5-aminopentyl)-5-ethylfuran-2-carboxamide
CID 79094477
3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 63578343
N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide
CID 82030542
N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31344363
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 47141528
5-ethyl-N-(3-iodopropyl)furan-2-carboxamide
CID 114504288
N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide
CID 94273188
5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide
CID 115739064
5-[(2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide
CID 63578720

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 82030552) is N-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide is NCCNC(=O)c1ccc(Cn2ccc(=O)cc2)o1.
What is the InChIKey of N-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is RKEPHXICFGWFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-5-6-15-13(18)12-2-1-11(19-12)9-16-7-3-10(17)4-8-16/h1-4,7-8H,5-6,9,14H2,(H,15,18).
What are the key properties of N-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
N-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 82030552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).