(4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one

C17H18N4O2 — CID 97083905

IUPAC(4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one
SMILESO=C1NC[C@H](C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)N1
InChIInChI=1S/C17H18N4O2/c22-16(15-10-19-17(23)20-15)21-7-5-11(6-8-21)13-9-18-14-4-2-1-3-12(13)14/h1-5,9,15,18H,6-8,10H2,(H2,19,20,23)/t15-/m1/s1
InChIKeyCJLXIGJKVXZFKH-OAHLLOKOSA-N
MW310.36 g/mol
LogP1.47
Rot. Bonds2

About (4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one

(4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one (PubChem CID 97083905) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one
PubChem CID97083905
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one
SMILESO=C1NC[C@H](C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)N1
InChIInChI=1S/C17H18N4O2/c22-16(15-10-19-17(23)20-15)21-7-5-11(6-8-21)13-9-18-14-4-2-1-3-12(13)14/h1-5,9,15,18H,6-8,10H2,(H2,19,20,23)/t15-/m1/s1
InChIKeyCJLXIGJKVXZFKH-OAHLLOKOSA-N
XLogP1.47
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
CID 97034511
(2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 166245925
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 110931231
(2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 46699903
(5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
CID 95045762
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 41133578
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086670
N-cyclopentyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
CID 20916507
N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
CID 20916506
(4S)-4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazolidin-2-one
CID 124505944
cyclopropyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 39545624
3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 71867021

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one?
The IUPAC name of (4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one (CID 97083905) is (4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one?
The canonical SMILES for (4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one is O=C1NC[C@H](C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)N1.
What is the InChIKey of (4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one?
The InChIKey is CJLXIGJKVXZFKH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-16(15-10-19-17(23)20-15)21-7-5-11(6-8-21)13-9-18-14-4-2-1-3-12(13)14/h1-5,9,15,18H,6-8,10H2,(H2,19,20,23)/t15-/m1/s1.
What are the key properties of (4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one?
(4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one has a molecular weight of 310.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one is sourced from PubChem (CID 97083905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).