N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide

C21H22N4O4 — CID 66727957

IUPACN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccco3)ccn2)cc1C(=O)NCCCN
InChIInChI=1S/C21H22N4O4/c1-28-19-6-5-15(13-16(19)20(26)24-9-3-8-22)25-21(27)17-12-14(7-10-23-17)18-4-2-11-29-18/h2,4-7,10-13H,3,8-9,22H2,1H3,(H,24,26)(H,25,27)
InChIKeyROAYMJRXJOEYOS-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.68
Rot. Bonds8

About N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide

N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide (PubChem CID 66727957) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide
PubChem CID66727957
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccco3)ccn2)cc1C(=O)NCCCN
InChIInChI=1S/C21H22N4O4/c1-28-19-6-5-15(13-16(19)20(26)24-9-3-8-22)25-21(27)17-12-14(7-10-23-17)18-4-2-11-29-18/h2,4-7,10-13H,3,8-9,22H2,1H3,(H,24,26)(H,25,27)
InChIKeyROAYMJRXJOEYOS-UHFFFAOYSA-N
XLogP2.68
TPSA119.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide
CID 87134001
N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide
CID 129176773
N-(3-aminopropyl)-5-(1,3-benzodioxol-5-ylcarbamoylamino)-2-methoxybenzamide
CID 66748308
2-N-(3,4-dimethoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082596
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-3-(3-chlorophenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 66727961
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide
CID 87126859
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide
CID 66728085
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide
CID 66728054
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-3-(2,5-dimethylthiophen-3-yl)-4-methyl-1H-pyrazole-5-carboxamide
CID 66727986
3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide
CID 140608368
4-amino-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 62152522
5-chloro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2-methoxybenzamide
CID 142440199

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide (CID 66727957) is N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccco3)ccn2)cc1C(=O)NCCCN.
What is the InChIKey of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide?
The InChIKey is ROAYMJRXJOEYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-28-19-6-5-15(13-16(19)20(26)24-9-3-8-22)25-21(27)17-12-14(7-10-23-17)18-4-2-11-29-18/h2,4-7,10-13H,3,8-9,22H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide?
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 66727957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).