N-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide

C24H29F2N5O3 — CID 169036164

IUPACN-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC(F)(F)CN1C(=O)c1nc(Nc2cc(OC3CCC3)ccn2)ccc1C
InChIInChI=1S/C24H29F2N5O3/c1-15-6-7-20(29-21-12-19(9-11-27-21)34-18-4-3-5-18)30-22(15)23(33)31-14-24(25,26)10-8-17(31)13-28-16(2)32/h6-7,9,11-12,17-18H,3-5,8,10,13-14H2,1-2H3,(H,28,32)(H,27,29,30)
InChIKeyGGURLJHDQVQBFO-UHFFFAOYSA-N
MW473.52 g/mol
LogP3.84
Rot. Bonds7

About N-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide

N-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide (PubChem CID 169036164) has the molecular formula C24H29F2N5O3 and a molecular weight of 473.52 g/mol. Its IUPAC name is N-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide
PubChem CID169036164
Molecular FormulaC24H29F2N5O3
Molecular Weight473.52 g/mol
Exact Mass473.22
IUPAC NameN-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC(F)(F)CN1C(=O)c1nc(Nc2cc(OC3CCC3)ccn2)ccc1C
InChIInChI=1S/C24H29F2N5O3/c1-15-6-7-20(29-21-12-19(9-11-27-21)34-18-4-3-5-18)30-22(15)23(33)31-14-24(25,26)10-8-17(31)13-28-16(2)32/h6-7,9,11-12,17-18H,3-5,8,10,13-14H2,1-2H3,(H,28,32)(H,27,29,30)
InChIKeyGGURLJHDQVQBFO-UHFFFAOYSA-N
XLogP3.84
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide
CID 169036173
N-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide
CID 162721730
[(2S)-2-ethyl-5,5-difluoropiperidin-1-yl]-[3-fluoro-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]-2-pyridinyl]methanone
CID 170192188
2-[[6-[(2R)-5,5-difluoro-2-(3-methylbutyl)piperidine-1-carbonyl]-5-methyl-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 174049608
[(2R)-5,5-difluoro-1-[2-methyl-5-[[4-(trifluoromethoxy)-2-pyridinyl]amino]benzoyl]piperidin-2-yl]methylcarbamic acid
CID 175717505
[5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-4-carbonyl]piperidin-2-yl]methyl carbamate
CID 175396184
[(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate
CID 175396215
N-[(3R)-1-[6-[[4-(1,1-difluoroethoxy)-2-pyridinyl]amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-3-yl]acetamide
CID 170192168
[5,5-difluoro-1-[2-methyl-5-[[4-(trifluoromethoxy)-2-pyridinyl]amino]benzoyl]piperidin-2-yl]methyl carbamate
CID 175396226
[(2R)-5,5-difluoro-1-[2-methyl-5-[[4-(trifluoromethoxy)-2-pyridinyl]amino]benzoyl]piperidin-2-yl]methyl carbamate
CID 175396225
tert-butyl N-[[1-(2-bromo-5-methylpyridine-4-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]carbamate
CID 175396172
N-[[5,5-difluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 71715391

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide (CID 169036164) is N-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide is CC(=O)NCC1CCC(F)(F)CN1C(=O)c1nc(Nc2cc(OC3CCC3)ccn2)ccc1C.
What is the InChIKey of N-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide?
The InChIKey is GGURLJHDQVQBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O3/c1-15-6-7-20(29-21-12-19(9-11-27-21)34-18-4-3-5-18)30-22(15)23(33)31-14-24(25,26)10-8-17(31)13-28-16(2)32/h6-7,9,11-12,17-18H,3-5,8,10,13-14H2,1-2H3,(H,28,32)(H,27,29,30).
What are the key properties of N-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide?
N-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide has a molecular weight of 473.52 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide is sourced from PubChem (CID 169036164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).