(3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

C26H33FN4O2 — CID 66798990

IUPAC(3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)C(C)(C)F)CC4)CC2)ccn1
InChIInChI=1S/C26H33FN4O2/c1-17-15-21(9-12-28-17)31-13-10-20(11-14-31)30(4)24(32)19-6-5-18-7-8-23(22(18)16-19)29-25(33)26(2,3)27/h5-6,9,12,15-16,20,23H,7-8,10-11,13-14H2,1-4H3,(H,29,33)/t23-/m1/s1
InChIKeyBTHYHKZIORYJDS-HSZRJFAPSA-N
MW452.57 g/mol
LogP3.98
Rot. Bonds5

About (3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

(3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 66798990) has the molecular formula C26H33FN4O2 and a molecular weight of 452.57 g/mol. Its IUPAC name is (3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID66798990
Molecular FormulaC26H33FN4O2
Molecular Weight452.57 g/mol
Exact Mass452.26
IUPAC Name(3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)C(C)(C)F)CC4)CC2)ccn1
InChIInChI=1S/C26H33FN4O2/c1-17-15-21(9-12-28-17)31-13-10-20(11-14-31)30(4)24(32)19-6-5-18-7-8-23(22(18)16-19)29-25(33)26(2,3)27/h5-6,9,12,15-16,20,23H,7-8,10-11,13-14H2,1-4H3,(H,29,33)/t23-/m1/s1
InChIKeyBTHYHKZIORYJDS-HSZRJFAPSA-N
XLogP3.98
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of (3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 66798990) is (3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for (3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for (3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)C(C)(C)F)CC4)CC2)ccn1.
What is the InChIKey of (3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is BTHYHKZIORYJDS-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H33FN4O2/c1-17-15-21(9-12-28-17)31-13-10-20(11-14-31)30(4)24(32)19-6-5-18-7-8-23(22(18)16-19)29-25(33)26(2,3)27/h5-6,9,12,15-16,20,23H,7-8,10-11,13-14H2,1-4H3,(H,29,33)/t23-/m1/s1.
What are the key properties of (3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
(3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 452.57 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 66798990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).