N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide

C30H34N4O4 — CID 46926953

IUPACN-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2c(-c3ccc[nH]c3=O)[nH]c3ccc(C(=O)NCCCN4CCOCC4)cc23)cc1
InChIInChI=1S/C30H34N4O4/c1-20(2)38-23-9-6-21(7-10-23)27-25-19-22(29(35)31-13-4-14-34-15-17-37-18-16-34)8-11-26(25)33-28(27)24-5-3-12-32-30(24)36/h3,5-12,19-20,33H,4,13-18H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyQZRFWKKYCHRXTE-UHFFFAOYSA-N
MW514.63 g/mol
LogP4.43
Rot. Bonds9

About N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide

N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide (PubChem CID 46926953) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide
PubChem CID46926953
Molecular FormulaC30H34N4O4
Molecular Weight514.63 g/mol
Exact Mass514.26
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2c(-c3ccc[nH]c3=O)[nH]c3ccc(C(=O)NCCCN4CCOCC4)cc23)cc1
InChIInChI=1S/C30H34N4O4/c1-20(2)38-23-9-6-21(7-10-23)27-25-19-22(29(35)31-13-4-14-34-15-17-37-18-16-34)8-11-26(25)33-28(27)24-5-3-12-32-30(24)36/h3,5-12,19-20,33H,4,13-18H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyQZRFWKKYCHRXTE-UHFFFAOYSA-N
XLogP4.43
TPSA99.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide
CID 59508042
N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide
CID 59508059
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 67424998
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 55628607
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 10132635
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 42691502
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 3442010

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide (CID 46926953) is N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide is CC(C)Oc1ccc(-c2c(-c3ccc[nH]c3=O)[nH]c3ccc(C(=O)NCCCN4CCOCC4)cc23)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide?
The InChIKey is QZRFWKKYCHRXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-20(2)38-23-9-6-21(7-10-23)27-25-19-22(29(35)31-13-4-14-34-15-17-37-18-16-34)8-11-26(25)33-28(27)24-5-3-12-32-30(24)36/h3,5-12,19-20,33H,4,13-18H2,1-2H3,(H,31,35)(H,32,36).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide?
N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide has a molecular weight of 514.63 g/mol, XLogP of 4.43, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 46926953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).