N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide

C25H23N5O — CID 11682965

IUPACN-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide
SMILESCC1(C)CNc2cc(NC(=O)c3cccnc3Nc3ccc4cnccc4c3)ccc21
InChIInChI=1S/C25H23N5O/c1-25(2)15-28-22-13-19(7-8-21(22)25)30-24(31)20-4-3-10-27-23(20)29-18-6-5-17-14-26-11-9-16(17)12-18/h3-14,28H,15H2,1-2H3,(H,27,29)(H,30,31)
InChIKeyACTXDQVXSTYIMC-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.33
Rot. Bonds4

About N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide

N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide (PubChem CID 11682965) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide
PubChem CID11682965
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC NameN-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide
SMILESCC1(C)CNc2cc(NC(=O)c3cccnc3Nc3ccc4cnccc4c3)ccc21
InChIInChI=1S/C25H23N5O/c1-25(2)15-28-22-13-19(7-8-21(22)25)30-24(31)20-4-3-10-27-23(20)29-18-6-5-17-14-26-11-9-16(17)12-18/h3-14,28H,15H2,1-2H3,(H,27,29)(H,30,31)
InChIKeyACTXDQVXSTYIMC-UHFFFAOYSA-N
XLogP5.33
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-hydroxypentanoyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 143174470
prop-1-en-2-yl N-[2-[7-[[2-(isoquinolin-7-ylamino)pyridine-3-carbonyl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-2-oxoethyl]carbamate
CID 89199496
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 11640796
N-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 11503083
N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
CID 22249397
N-(5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepin-8-yl)-2-fluoropyridine-3-carboxamide
CID 69263023
N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
CID 68854281
N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
CID 10387796
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-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574296
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498997
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide (CID 11682965) is N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide is CC1(C)CNc2cc(NC(=O)c3cccnc3Nc3ccc4cnccc4c3)ccc21.
What is the InChIKey of N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is ACTXDQVXSTYIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-25(2)15-28-22-13-19(7-8-21(22)25)30-24(31)20-4-3-10-27-23(20)29-18-6-5-17-14-26-11-9-16(17)12-18/h3-14,28H,15H2,1-2H3,(H,27,29)(H,30,31).
What are the key properties of N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide?
N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 5.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 11682965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).