6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide

C24H32FN5O — CID 23728916

IUPAC6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESC[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(N4CCC(F)CC4)nc3)cc2)CCN1
InChIInChI=1S/C24H32FN5O/c1-18-16-29(14-11-26-18)17-19-3-6-22(7-4-19)28(2)24(31)20-5-8-23(27-15-20)30-12-9-21(25)10-13-30/h3-8,15,18,21,26H,9-14,16-17H2,1-2H3/t18-/m0/s1
InChIKeyNYQIBDUGUASXTF-SFHVURJKSA-N
MW425.55 g/mol
LogP3.09
Rot. Bonds5

About 6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide

6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 23728916) has the molecular formula C24H32FN5O and a molecular weight of 425.55 g/mol. Its IUPAC name is 6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
PubChem CID23728916
Molecular FormulaC24H32FN5O
Molecular Weight425.55 g/mol
Exact Mass425.26
IUPAC Name6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESC[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(N4CCC(F)CC4)nc3)cc2)CCN1
InChIInChI=1S/C24H32FN5O/c1-18-16-29(14-11-26-18)17-19-3-6-22(7-4-19)28(2)24(31)20-5-8-23(27-15-20)30-12-9-21(25)10-13-30/h3-8,15,18,21,26H,9-14,16-17H2,1-2H3/t18-/m0/s1
InChIKeyNYQIBDUGUASXTF-SFHVURJKSA-N
XLogP3.09
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide with MolForge

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BPKDi
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AQ-RA 741
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Unii-O3pen5V8WL
CID 453331
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CID 16108892
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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide (CID 23728916) is 6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide is C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(N4CCC(F)CC4)nc3)cc2)CCN1.
What is the InChIKey of 6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is NYQIBDUGUASXTF-SFHVURJKSA-N. The full InChI is InChI=1S/C24H32FN5O/c1-18-16-29(14-11-26-18)17-19-3-6-22(7-4-19)28(2)24(31)20-5-8-23(27-15-20)30-12-9-21(25)10-13-30/h3-8,15,18,21,26H,9-14,16-17H2,1-2H3/t18-/m0/s1.
What are the key properties of 6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoropiperidin-1-yl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 23728916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).