N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide

C24H31N3O2 — CID 20916506

IUPACN-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
SMILESO=C(CCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)NC1CCCCCC1
InChIInChI=1S/C24H31N3O2/c28-23(26-19-7-3-1-2-4-8-19)11-12-24(29)27-15-13-18(14-16-27)21-17-25-22-10-6-5-9-20(21)22/h5-6,9-10,13,17,19,25H,1-4,7-8,11-12,14-16H2,(H,26,28)
InChIKeyUOYNFVXHSWBLGT-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.40
Rot. Bonds5

About N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide

N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide (PubChem CID 20916506) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
PubChem CID20916506
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
SMILESO=C(CCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)NC1CCCCCC1
InChIInChI=1S/C24H31N3O2/c28-23(26-19-7-3-1-2-4-8-19)11-12-24(29)27-15-13-18(14-16-27)21-17-25-22-10-6-5-9-20(21)22/h5-6,9-10,13,17,19,25H,1-4,7-8,11-12,14-16H2,(H,26,28)
InChIKeyUOYNFVXHSWBLGT-UHFFFAOYSA-N
XLogP4.40
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
CID 20916507
4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 46277470
4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]-4-oxobutanamide
CID 20916520
4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
CID 20916512
1-(4-bromophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butane-1,4-dione
CID 46699859
N-[(3,4-dimethoxyphenyl)methyl]-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
CID 46277472
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086670
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 41133578
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 110931231
(4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one
CID 97083905
N-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 55678155
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 167898000

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide?
The IUPAC name of N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide (CID 20916506) is N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide is O=C(CCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide?
The InChIKey is UOYNFVXHSWBLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-23(26-19-7-3-1-2-4-8-19)11-12-24(29)27-15-13-18(14-16-27)21-17-25-22-10-6-5-9-20(21)22/h5-6,9-10,13,17,19,25H,1-4,7-8,11-12,14-16H2,(H,26,28).
What are the key properties of N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide?
N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide has a molecular weight of 393.53 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 20916506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).