N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide

C28H23ClN4O2 — CID 118213156

IUPACN-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(Cl)c[nH]c2c1)c1cncc(Cc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C28H23ClN4O2/c29-25-17-31-26-13-21(8-9-24(25)26)15-32-28(35)23-12-22(14-30-16-23)11-19-4-6-20(7-5-19)18-33-10-2-1-3-27(33)34/h1-10,12-14,16-17,31H,11,15,18H2,(H,32,35)
InChIKeyATENWBOJXSYBNZ-UHFFFAOYSA-N
MW482.97 g/mol
LogP4.95
Rot. Bonds7

About N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide

N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 118213156) has the molecular formula C28H23ClN4O2 and a molecular weight of 482.97 g/mol. Its IUPAC name is N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID118213156
Molecular FormulaC28H23ClN4O2
Molecular Weight482.97 g/mol
Exact Mass482.15
IUPAC NameN-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(Cl)c[nH]c2c1)c1cncc(Cc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C28H23ClN4O2/c29-25-17-31-26-13-21(8-9-24(25)26)15-32-28(35)23-12-22(14-30-16-23)11-19-4-6-20(7-5-19)18-33-10-2-1-3-27(33)34/h1-10,12-14,16-17,31H,11,15,18H2,(H,32,35)
InChIKeyATENWBOJXSYBNZ-UHFFFAOYSA-N
XLogP4.95
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212944
N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118213060
ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 144881175
5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
CID 118213110
tert-butyl N-[[4-[[1-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]ethenylamino]methyl]phenyl]methyl]carbamate
CID 118220509
N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 144881429
methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
CID 175301664
N-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide
CID 159447927
[3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate
CID 175008487
N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212256
N-[(6-chloro-1-benzothiophen-3-yl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
CID 134611533
5-[[4-(acetamidomethyl)-2,3-difluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
CID 118212905

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide (CID 118213156) is N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc2c(Cl)c[nH]c2c1)c1cncc(Cc2ccc(Cn3ccccc3=O)cc2)c1.
What is the InChIKey of N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is ATENWBOJXSYBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O2/c29-25-17-31-26-13-21(8-9-24(25)26)15-32-28(35)23-12-22(14-30-16-23)11-19-4-6-20(7-5-19)18-33-10-2-1-3-27(33)34/h1-10,12-14,16-17,31H,11,15,18H2,(H,32,35).
What are the key properties of N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 482.97 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118213156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).