N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide

C21H26N4O2 — CID 172532265

IUPACN-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cccnc1N(C(=O)c1ccc(NC2COC2)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C21H26N4O2/c1-15-4-2-11-23-20(15)25(19-5-3-10-22-12-19)21(26)16-6-8-17(9-7-16)24-18-13-27-14-18/h2,4,6-9,11,18-19,22,24H,3,5,10,12-14H2,1H3/t19-/m1/s1
InChIKeyAGPLNVLHSUXGMU-LJQANCHMSA-N
MW366.46 g/mol
LogP2.60
Rot. Bonds5

About N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide

N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 172532265) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID172532265
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC NameN-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cccnc1N(C(=O)c1ccc(NC2COC2)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C21H26N4O2/c1-15-4-2-11-23-20(15)25(19-5-3-10-22-12-19)21(26)16-6-8-17(9-7-16)24-18-13-27-14-18/h2,4,6-9,11,18-19,22,24H,3,5,10,12-14H2,1H3/t19-/m1/s1
InChIKeyAGPLNVLHSUXGMU-LJQANCHMSA-N
XLogP2.60
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 172533416
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 140933909
N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide
CID 172532418
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
CID 140933923
[2-methyl-1-[5-[1-methyl-4-[4-[(3-methyl-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]pyrazol-5-yl]tetrazol-2-yl]propyl] propan-2-yl carbonate
CID 123290309
(NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine
CID 172973603
4-[[4-[(4,4-difluoropiperidin-1-yl)methyl]pyrimidin-2-yl]amino]-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533339
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide
CID 140934009
N-(5-chloro-3-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 140933927
N-(8-methylisoquinolin-1-yl)-3-[5-oxo-5-(pyridin-4-ylamino)pent-1-ynyl]-N-piperidin-3-ylbenzamide
CID 172531993
N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide
CID 172532882
N-(6,8-dimethylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-[5-(trideuteriomethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 172532950

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide (CID 172532265) is N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide is Cc1cccnc1N(C(=O)c1ccc(NC2COC2)cc1)[C@@H]1CCCNC1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is AGPLNVLHSUXGMU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-4-2-11-23-20(15)25(19-5-3-10-22-12-19)21(26)16-6-8-17(9-7-16)24-18-13-27-14-18/h2,4,6-9,11,18-19,22,24H,3,5,10,12-14H2,1H3/t19-/m1/s1.
What are the key properties of N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide?
N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 172532265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).