2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide

C22H30FN5O2 — CID 124947488

IUPAC2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)CN1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1
InChIInChI=1S/C22H30FN5O2/c1-15-10-19(27-21-5-4-18(23)12-24-21)11-20(25-15)17-6-8-28(9-7-17)13-22(29)26-16(2)14-30-3/h4-5,10-12,16-17H,6-9,13-14H2,1-3H3,(H,26,29)(H,24,25,27)/t16-/m1/s1
InChIKeyCGBDCSXWZUTLDU-MRXNPFEDSA-N
MW415.51 g/mol
LogP3.00
Rot. Bonds8

About 2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide

2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide (PubChem CID 124947488) has the molecular formula C22H30FN5O2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
PubChem CID124947488
Molecular FormulaC22H30FN5O2
Molecular Weight415.51 g/mol
Exact Mass415.24
IUPAC Name2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)CN1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1
InChIInChI=1S/C22H30FN5O2/c1-15-10-19(27-21-5-4-18(23)12-24-21)11-20(25-15)17-6-8-28(9-7-17)13-22(29)26-16(2)14-30-3/h4-5,10-12,16-17H,6-9,13-14H2,1-3H3,(H,26,29)(H,24,25,27)/t16-/m1/s1
InChIKeyCGBDCSXWZUTLDU-MRXNPFEDSA-N
XLogP3.00
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide (CID 124947488) is 2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide is COC[C@@H](C)NC(=O)CN1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1.
What is the InChIKey of 2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The InChIKey is CGBDCSXWZUTLDU-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H30FN5O2/c1-15-10-19(27-21-5-4-18(23)12-24-21)11-20(25-15)17-6-8-28(9-7-17)13-22(29)26-16(2)14-30-3/h4-5,10-12,16-17H,6-9,13-14H2,1-3H3,(H,26,29)(H,24,25,27)/t16-/m1/s1.
What are the key properties of 2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide has a molecular weight of 415.51 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 124947488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).