N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide

C23H30FN5O2 — CID 56840161

IUPACN-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)C1CCN(Cc2ccc(F)c(NC(=O)Nc3ccc(C)nc3)c2)CC1
InChIInChI=1S/C23H30FN5O2/c1-4-22(30)28(3)19-9-11-29(12-10-19)15-17-6-8-20(24)21(13-17)27-23(31)26-18-7-5-16(2)25-14-18/h5-8,13-14,19H,4,9-12,15H2,1-3H3,(H2,26,27,31)
InChIKeyTVDDCIYKVQQWDO-UHFFFAOYSA-N
MW427.52 g/mol
LogP4.01
Rot. Bonds6

About N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide

N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide (PubChem CID 56840161) has the molecular formula C23H30FN5O2 and a molecular weight of 427.52 g/mol. Its IUPAC name is N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide
PubChem CID56840161
Molecular FormulaC23H30FN5O2
Molecular Weight427.52 g/mol
Exact Mass427.24
IUPAC NameN-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)C1CCN(Cc2ccc(F)c(NC(=O)Nc3ccc(C)nc3)c2)CC1
InChIInChI=1S/C23H30FN5O2/c1-4-22(30)28(3)19-9-11-29(12-10-19)15-17-6-8-20(24)21(13-17)27-23(31)26-18-7-5-16(2)25-14-18/h5-8,13-14,19H,4,9-12,15H2,1-3H3,(H2,26,27,31)
InChIKeyTVDDCIYKVQQWDO-UHFFFAOYSA-N
XLogP4.01
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide with MolForge

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Related Compounds

N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]pyrrolidin-3-yl]-N-methylpropanamide
CID 66677156
N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-N-methylpropanamide
CID 56839493
1-[5-[[(1-ethylsulfonylpiperidin-4-yl)-methylamino]methyl]-2-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66676155
2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide
CID 56839287
1-[2-fluoro-5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66676675
N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide
CID 56839286
N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide
CID 66676795
1-[5-[[(3S,5R)-3,5-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66676872
1-[2-fluoro-5-[[(3S)-3-(methoxymethyl)-4-propylpiperazin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 91133892
(2S)-4-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-2-(methoxymethyl)piperazine-1-carboxylic acid
CID 68548928
1-[3-fluoro-5-[[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 56838627
CID 159817815
CID 159817815

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide?
The IUPAC name of N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide (CID 56840161) is N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide.
What is the SMILES notation for N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide?
The canonical SMILES for N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide is CCC(=O)N(C)C1CCN(Cc2ccc(F)c(NC(=O)Nc3ccc(C)nc3)c2)CC1.
What is the InChIKey of N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide?
The InChIKey is TVDDCIYKVQQWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O2/c1-4-22(30)28(3)19-9-11-29(12-10-19)15-17-6-8-20(24)21(13-17)27-23(31)26-18-7-5-16(2)25-14-18/h5-8,13-14,19H,4,9-12,15H2,1-3H3,(H2,26,27,31).
What are the key properties of N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide?
N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide has a molecular weight of 427.52 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide is sourced from PubChem (CID 56840161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).