N-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide

C27H26ClN5O2 — CID 22499424

IUPACN-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide
SMILESO=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1Cl)N1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C27H26ClN5O2/c28-22-5-1-2-6-24(22)33(27(35)20-9-8-19-10-14-29-23(19)17-20)18-26(34)32-15-11-21(12-16-32)31-25-7-3-4-13-30-25/h1-10,13-14,17,21,29H,11-12,15-16,18H2,(H,30,31)
InChIKeyMWDVOEMLHYLSPO-UHFFFAOYSA-N
MW487.99 g/mol
LogP4.97
Rot. Bonds6

About N-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide

N-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide (PubChem CID 22499424) has the molecular formula C27H26ClN5O2 and a molecular weight of 487.99 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide
PubChem CID22499424
Molecular FormulaC27H26ClN5O2
Molecular Weight487.99 g/mol
Exact Mass487.18
IUPAC NameN-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide
SMILESO=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1Cl)N1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C27H26ClN5O2/c28-22-5-1-2-6-24(22)33(27(35)20-9-8-19-10-14-29-23(19)17-20)18-26(34)32-15-11-21(12-16-32)31-25-7-3-4-13-30-25/h1-10,13-14,17,21,29H,11-12,15-16,18H2,(H,30,31)
InChIKeyMWDVOEMLHYLSPO-UHFFFAOYSA-N
XLogP4.97
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride
CID 22499519
N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide
CID 22321792
N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide
CID 22499500
N-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide
CID 91340383
N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 69430640
N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride
CID 22321771
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
[1-[[1-[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl 2,2,2-trifluoroacetate
CID 22677917
N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide
CID 166407641
[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 21066212
N-(1-methylpiperidin-4-yl)pyridin-2-amine;dihydrochloride
CID 174544706
N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide
CID 22135179

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide (CID 22499424) is N-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide is O=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1Cl)N1CCC(Nc2ccccn2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide?
The InChIKey is MWDVOEMLHYLSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O2/c28-22-5-1-2-6-24(22)33(27(35)20-9-8-19-10-14-29-23(19)17-20)18-26(34)32-15-11-21(12-16-32)31-25-7-3-4-13-30-25/h1-10,13-14,17,21,29H,11-12,15-16,18H2,(H,30,31).
What are the key properties of N-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide?
N-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide has a molecular weight of 487.99 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 22499424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).