N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide

C29H36N6O2 — CID 22249397

IUPACN-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
SMILESCC(Oc1cc(CNc2ncccc2C(=O)Nc2ccc3c(c2)NCC3(C)C)ccn1)C1CCNCC1
InChIInChI=1S/C29H36N6O2/c1-19(21-9-12-30-13-10-21)37-26-15-20(8-14-31-26)17-33-27-23(5-4-11-32-27)28(36)35-22-6-7-24-25(16-22)34-18-29(24,2)3/h4-8,11,14-16,19,21,30,34H,9-10,12-13,17-18H2,1-3H3,(H,32,33)(H,35,36)
InChIKeyFXJUVGVFAUBMME-UHFFFAOYSA-N
MW500.65 g/mol
LogP4.81
Rot. Bonds8

About N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide

N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide (PubChem CID 22249397) has the molecular formula C29H36N6O2 and a molecular weight of 500.65 g/mol. Its IUPAC name is N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
PubChem CID22249397
Molecular FormulaC29H36N6O2
Molecular Weight500.65 g/mol
Exact Mass500.29
IUPAC NameN-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
SMILESCC(Oc1cc(CNc2ncccc2C(=O)Nc2ccc3c(c2)NCC3(C)C)ccn1)C1CCNCC1
InChIInChI=1S/C29H36N6O2/c1-19(21-9-12-30-13-10-21)37-26-15-20(8-14-31-26)17-33-27-23(5-4-11-32-27)28(36)35-22-6-7-24-25(16-22)34-18-29(24,2)3/h4-8,11,14-16,19,21,30,34H,9-10,12-13,17-18H2,1-3H3,(H,32,33)(H,35,36)
InChIKeyFXJUVGVFAUBMME-UHFFFAOYSA-N
XLogP4.81
TPSA100.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 54.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498856
N-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498869
N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide
CID 11682965
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 58942005
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498997
2-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methylamino]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide
CID 22249252
N-(5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepin-8-yl)-2-fluoropyridine-3-carboxamide
CID 69263023
N-[3,3-dimethyl-1-(pyrrolidin-1-ylmethyl)-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10456774
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467
N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide
CID 70071023
N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 143447605
N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 149238261

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide (CID 22249397) is N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide is CC(Oc1cc(CNc2ncccc2C(=O)Nc2ccc3c(c2)NCC3(C)C)ccn1)C1CCNCC1.
What is the InChIKey of N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide?
The InChIKey is FXJUVGVFAUBMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O2/c1-19(21-9-12-30-13-10-21)37-26-15-20(8-14-31-26)17-33-27-23(5-4-11-32-27)28(36)35-22-6-7-24-25(16-22)34-18-29(24,2)3/h4-8,11,14-16,19,21,30,34H,9-10,12-13,17-18H2,1-3H3,(H,32,33)(H,35,36).
What are the key properties of N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide?
N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide has a molecular weight of 500.65 g/mol, XLogP of 4.81, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 22249397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).