6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide

C25H30N6O2 — CID 142557326

IUPAC6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CNC3)cc1Nc1ccnc(C(C)(C)O)c1
InChIInChI=1S/C25H30N6O2/c1-15(2)29-24(32)20-14-28-23(31-18-6-5-16-12-26-13-17(16)9-18)11-21(20)30-19-7-8-27-22(10-19)25(3,4)33/h5-11,14-15,26,33H,12-13H2,1-4H3,(H,29,32)(H2,27,28,30,31)
InChIKeyMFSRJEIAUXNMGS-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.93
Rot. Bonds7

About 6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide

6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 142557326) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID142557326
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CNC3)cc1Nc1ccnc(C(C)(C)O)c1
InChIInChI=1S/C25H30N6O2/c1-15(2)29-24(32)20-14-28-23(31-18-6-5-16-12-26-13-17(16)9-18)11-21(20)30-19-7-8-27-22(10-19)25(3,4)33/h5-11,14-15,26,33H,12-13H2,1-4H3,(H,29,32)(H2,27,28,30,31)
InChIKeyMFSRJEIAUXNMGS-UHFFFAOYSA-N
XLogP3.93
TPSA111.20 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide
CID 142557248
4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 142557915
4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 142557245
4-[[2-(2-cyanopropan-2-yl)-4-pyridinyl]amino]-2-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 155709595
4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 142557639
4-[(2-tert-butylfuran-3-yl)amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557886
6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide
CID 142557686
N-cyclopropyl-4-[[6-(1-hydroxy-2-methylpropan-2-yl)-2-pyridinyl]amino]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 138554143
N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557319
4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 142557648
4-[[2-(1-cyanocyclopropyl)-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 155709224
4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 155202965

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide (CID 142557326) is 6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CNC3)cc1Nc1ccnc(C(C)(C)O)c1.
What is the InChIKey of 6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is MFSRJEIAUXNMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-15(2)29-24(32)20-14-28-23(31-18-6-5-16-12-26-13-17(16)9-18)11-21(20)30-19-7-8-27-22(10-19)25(3,4)33/h5-11,14-15,26,33H,12-13H2,1-4H3,(H,29,32)(H2,27,28,30,31).
What are the key properties of 6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide?
6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 3.93, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 142557326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).