N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide

C22H22N4O2 — CID 24632245

IUPACN-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccccc1
InChIInChI=1S/C22H22N4O2/c27-20(8-12-24-22(28)17-5-2-1-3-6-17)26-13-9-16(10-14-26)19-15-25-21-18(19)7-4-11-23-21/h1-7,9,11,15H,8,10,12-14H2,(H,23,25)(H,24,28)
InChIKeyXIYZFXILYDXPEX-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.00
Rot. Bonds5

About N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide

N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide (PubChem CID 24632245) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide
PubChem CID24632245
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccccc1
InChIInChI=1S/C22H22N4O2/c27-20(8-12-24-22(28)17-5-2-1-3-6-17)26-13-9-16(10-14-26)19-15-25-21-18(19)7-4-11-23-21/h1-7,9,11,15H,8,10,12-14H2,(H,23,25)(H,24,28)
InChIKeyXIYZFXILYDXPEX-UHFFFAOYSA-N
XLogP3.00
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 24676138
N-(2-phenoxyethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634017
benzyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 44633230
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide
CID 75466601
1-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55888396
1-(5-methylthiophen-2-yl)-7-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]heptane-1,4,7-trione
CID 55628948
N-[(2-bromophenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68710122
N-[2-(4-fluorophenyl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44632510
2-(1-bromonaphthalen-2-yl)oxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 37027726
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 55627001
(3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24632252
N-[(2-methoxyphenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634277

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide?
The IUPAC name of N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide (CID 24632245) is N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide is O=C(NCCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccccc1.
What is the InChIKey of N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide?
The InChIKey is XIYZFXILYDXPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-20(8-12-24-22(28)17-5-2-1-3-6-17)26-13-9-16(10-14-26)19-15-25-21-18(19)7-4-11-23-21/h1-7,9,11,15H,8,10,12-14H2,(H,23,25)(H,24,28).
What are the key properties of N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide?
N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide is sourced from PubChem (CID 24632245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).