N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide

C22H21N3O3 — CID 110623583

IUPACN-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide
SMILESO=C(CCCc1cccnc1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2
InChIInChI=1S/C22H21N3O3/c26-21(7-1-4-16-5-2-11-23-15-16)24-18-9-8-17-10-12-25(19(17)14-18)22(27)20-6-3-13-28-20/h2-3,5-6,8-9,11,13-15H,1,4,7,10,12H2,(H,24,26)
InChIKeyFDLNFRJBAZRBJW-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.84
Rot. Bonds6

About N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide

N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide (PubChem CID 110623583) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide
PubChem CID110623583
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide
SMILESO=C(CCCc1cccnc1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2
InChIInChI=1S/C22H21N3O3/c26-21(7-1-4-16-5-2-11-23-15-16)24-18-9-8-17-10-12-25(19(17)14-18)22(27)20-6-3-13-28-20/h2-3,5-6,8-9,11,13-15H,1,4,7,10,12H2,(H,24,26)
InChIKeyFDLNFRJBAZRBJW-UHFFFAOYSA-N
XLogP3.84
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110623559
3-(3-fluorophenyl)-N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110623573
N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-3-methyl-3-phenylbutanamide
CID 110303960
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methoxyacetamide
CID 7517324
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylbutanamide
CID 7517311
2-amino-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]acetamide
CID 22689805
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-pyridin-3-ylbutanamide
CID 110623293
N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-3-pyrrol-1-ylbenzamide
CID 110303963
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide
CID 7517353
1-(6-nitro-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one
CID 110427346
4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide
CID 22690130
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]pyridine-4-carboxamide
CID 112506253

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide (CID 110623583) is N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide is O=C(CCCc1cccnc1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2.
What is the InChIKey of N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide?
The InChIKey is FDLNFRJBAZRBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21(7-1-4-16-5-2-11-23-15-16)24-18-9-8-17-10-12-25(19(17)14-18)22(27)20-6-3-13-28-20/h2-3,5-6,8-9,11,13-15H,1,4,7,10,12H2,(H,24,26).
What are the key properties of N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide?
N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide has a molecular weight of 375.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110623583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).