N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide

C24H31FN4O2 — CID 72703019

IUPACN-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(CN3CCC(F)(C(=O)NC(C)(C)C)CC3)c2)c1
InChIInChI=1S/C24H31FN4O2/c1-17-12-19(15-26-14-17)21(30)27-20-7-5-6-18(13-20)16-29-10-8-24(25,9-11-29)22(31)28-23(2,3)4/h5-7,12-15H,8-11,16H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyQCAWJCOEWCLHPB-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.86
Rot. Bonds5

About N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide

N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide (PubChem CID 72703019) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
PubChem CID72703019
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC NameN-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(CN3CCC(F)(C(=O)NC(C)(C)C)CC3)c2)c1
InChIInChI=1S/C24H31FN4O2/c1-17-12-19(15-26-14-17)21(30)27-20-7-5-6-18(13-20)16-29-10-8-24(25,9-11-29)22(31)28-23(2,3)4/h5-7,12-15H,8-11,16H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyQCAWJCOEWCLHPB-UHFFFAOYSA-N
XLogP3.86
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide (CID 72703019) is N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cccc(CN3CCC(F)(C(=O)NC(C)(C)C)CC3)c2)c1.
What is the InChIKey of N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide?
The InChIKey is QCAWJCOEWCLHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-17-12-19(15-26-14-17)21(30)27-20-7-5-6-18(13-20)16-29-10-8-24(25,9-11-29)22(31)28-23(2,3)4/h5-7,12-15H,8-11,16H2,1-4H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide?
N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 72703019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).