3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide

C26H37FN4O2 — CID 155215853

IUPAC3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(F)cc(N(CC)C2CCN[C@H](C)C2)c1C
InChIInChI=1S/C26H37FN4O2/c1-6-8-19-11-17(4)30-26(33)23(19)15-29-25(32)22-13-20(27)14-24(18(22)5)31(7-2)21-9-10-28-16(3)12-21/h11,13-14,16,21,28H,6-10,12,15H2,1-5H3,(H,29,32)(H,30,33)/t16-,21?/m1/s1
InChIKeyQZCXUXWIKBTYTB-UJONTBEJSA-N
MW456.61 g/mol
LogP3.98
Rot. Bonds8

About 3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide

3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide (PubChem CID 155215853) has the molecular formula C26H37FN4O2 and a molecular weight of 456.61 g/mol. Its IUPAC name is 3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide
PubChem CID155215853
Molecular FormulaC26H37FN4O2
Molecular Weight456.61 g/mol
Exact Mass456.29
IUPAC Name3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(F)cc(N(CC)C2CCN[C@H](C)C2)c1C
InChIInChI=1S/C26H37FN4O2/c1-6-8-19-11-17(4)30-26(33)23(19)15-29-25(32)22-13-20(27)14-24(18(22)5)31(7-2)21-9-10-28-16(3)12-21/h11,13-14,16,21,28H,6-10,12,15H2,1-5H3,(H,29,32)(H,30,33)/t16-,21?/m1/s1
InChIKeyQZCXUXWIKBTYTB-UJONTBEJSA-N
XLogP3.98
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide?
The IUPAC name of 3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide (CID 155215853) is 3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide?
The canonical SMILES for 3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(F)cc(N(CC)C2CCN[C@H](C)C2)c1C.
What is the InChIKey of 3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide?
The InChIKey is QZCXUXWIKBTYTB-UJONTBEJSA-N. The full InChI is InChI=1S/C26H37FN4O2/c1-6-8-19-11-17(4)30-26(33)23(19)15-29-25(32)22-13-20(27)14-24(18(22)5)31(7-2)21-9-10-28-16(3)12-21/h11,13-14,16,21,28H,6-10,12,15H2,1-5H3,(H,29,32)(H,30,33)/t16-,21?/m1/s1.
What are the key properties of 3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide?
3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide has a molecular weight of 456.61 g/mol, XLogP of 3.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide is sourced from PubChem (CID 155215853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).