(3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide

C30H44N6O2 — CID 56942296

IUPAC(3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)CC(=O)N(C(C)C)[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccnc(N(C)C)n4)CC3)cc21
InChIInChI=1S/C30H44N6O2/c1-20(2)18-28(37)36(21(3)4)26-11-10-22-8-9-23(19-25(22)26)29(38)34(7)24-13-16-35(17-14-24)27-12-15-31-30(32-27)33(5)6/h8-9,12,15,19-21,24,26H,10-11,13-14,16-18H2,1-7H3/t26-/m1/s1
InChIKeyGWQWBDUEWDAWCW-AREMUKBSSA-N
MW520.72 g/mol
LogP4.55
Rot. Bonds8

About (3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide

(3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 56942296) has the molecular formula C30H44N6O2 and a molecular weight of 520.72 g/mol. Its IUPAC name is (3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID56942296
Molecular FormulaC30H44N6O2
Molecular Weight520.72 g/mol
Exact Mass520.35
IUPAC Name(3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)CC(=O)N(C(C)C)[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccnc(N(C)C)n4)CC3)cc21
InChIInChI=1S/C30H44N6O2/c1-20(2)18-28(37)36(21(3)4)26-11-10-22-8-9-23(19-25(22)26)29(38)34(7)24-13-16-35(17-14-24)27-12-15-31-30(32-27)33(5)6/h8-9,12,15,19-21,24,26H,10-11,13-14,16-18H2,1-7H3/t26-/m1/s1
InChIKeyGWQWBDUEWDAWCW-AREMUKBSSA-N
XLogP4.55
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.72
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of (3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide (CID 56942296) is (3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for (3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for (3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide is CC(C)CC(=O)N(C(C)C)[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccnc(N(C)C)n4)CC3)cc21.
What is the InChIKey of (3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is GWQWBDUEWDAWCW-AREMUKBSSA-N. The full InChI is InChI=1S/C30H44N6O2/c1-20(2)18-28(37)36(21(3)4)26-11-10-22-8-9-23(19-25(22)26)29(38)34(7)24-13-16-35(17-14-24)27-12-15-31-30(32-27)33(5)6/h8-9,12,15,19-21,24,26H,10-11,13-14,16-18H2,1-7H3/t26-/m1/s1.
What are the key properties of (3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide?
(3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 520.72 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-3-[3-methylbutanoyl(propan-2-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 56942296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).