2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide

C21H25FN6O2 — CID 11589660

IUPAC2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESCn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2cccc(F)c21
InChIInChI=1S/C21H25FN6O2/c1-27-13-16(17-3-2-4-18(22)19(17)27)10-23-9-14-5-7-28(8-6-14)21-24-11-15(12-25-21)20(29)26-30/h2-4,11-14,23,30H,5-10H2,1H3,(H,26,29)
InChIKeyMQQVRWRSFHIEHT-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.23
Rot. Bonds6

About 2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide

2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 11589660) has the molecular formula C21H25FN6O2 and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
PubChem CID11589660
Molecular FormulaC21H25FN6O2
Molecular Weight412.47 g/mol
Exact Mass412.20
IUPAC Name2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESCn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2cccc(F)c21
InChIInChI=1S/C21H25FN6O2/c1-27-13-16(17-3-2-4-18(22)19(17)27)10-23-9-14-5-7-28(8-6-14)21-24-11-15(12-25-21)20(29)26-30/h2-4,11-14,23,30H,5-10H2,1H3,(H,26,29)
InChIKeyMQQVRWRSFHIEHT-UHFFFAOYSA-N
XLogP2.23
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;1-fluoro-2-hydroperoxyethyne;dihydrofluoride
CID 159761793
2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrimidine-5-carboxamide
CID 146294688
N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 11632605
N-[(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 146297708
1-[2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone
CID 58296378
[(2S,3S,6S)-6-methyl-2-[[2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carbonyl]amino]oxyoxan-3-yl] acetate
CID 146297699
N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367689
1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone
CID 58296399
N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 147230311
(2S)-2-[[4-[[[1-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperidin-4-yl]methylamino]methyl]phenyl]methylamino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 24985888
2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 143507194
methyl (2S)-2-cyclohexyl-2-[[1-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate
CID 89006686

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide (CID 11589660) is 2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide is Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2cccc(F)c21.
What is the InChIKey of 2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is MQQVRWRSFHIEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O2/c1-27-13-16(17-3-2-4-18(22)19(17)27)10-23-9-14-5-7-28(8-6-14)21-24-11-15(12-25-21)20(29)26-30/h2-4,11-14,23,30H,5-10H2,1H3,(H,26,29).
What are the key properties of 2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 11589660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).