(3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide

C27H37N5O2 — CID 56942151

IUPAC(3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)CC(C)C)CC4)CC2)nc(C)n1
InChIInChI=1S/C27H37N5O2/c1-17(2)14-26(33)30-24-9-8-20-6-7-21(16-23(20)24)27(34)31(5)22-10-12-32(13-11-22)25-15-18(3)28-19(4)29-25/h6-7,15-17,22,24H,8-14H2,1-5H3,(H,30,33)/t24-/m1/s1
InChIKeySYDARKYDLCFVPW-XMMPIXPASA-N
MW463.63 g/mol
LogP3.98
Rot. Bonds6

About (3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide

(3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 56942151) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is (3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID56942151
Molecular FormulaC27H37N5O2
Molecular Weight463.63 g/mol
Exact Mass463.29
IUPAC Name(3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)CC(C)C)CC4)CC2)nc(C)n1
InChIInChI=1S/C27H37N5O2/c1-17(2)14-26(33)30-24-9-8-20-6-7-21(16-23(20)24)27(34)31(5)22-10-12-32(13-11-22)25-15-18(3)28-19(4)29-25/h6-7,15-17,22,24H,8-14H2,1-5H3,(H,30,33)/t24-/m1/s1
InChIKeySYDARKYDLCFVPW-XMMPIXPASA-N
XLogP3.98
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of (3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide (CID 56942151) is (3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for (3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for (3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide is Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)CC(C)C)CC4)CC2)nc(C)n1.
What is the InChIKey of (3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is SYDARKYDLCFVPW-XMMPIXPASA-N. The full InChI is InChI=1S/C27H37N5O2/c1-17(2)14-26(33)30-24-9-8-20-6-7-21(16-23(20)24)27(34)31(5)22-10-12-32(13-11-22)25-15-18(3)28-19(4)29-25/h6-7,15-17,22,24H,8-14H2,1-5H3,(H,30,33)/t24-/m1/s1.
What are the key properties of (3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide?
(3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 463.63 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 56942151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).