cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone

C23H30N4O — CID 110264956

IUPACcyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1cc(Nc2ncccc2C)cc(C2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C23H30N4O/c1-16-7-5-11-24-22(16)26-20-13-17(2)25-21(14-20)19-10-6-12-27(15-19)23(28)18-8-3-4-9-18/h5,7,11,13-14,18-19H,3-4,6,8-10,12,15H2,1-2H3,(H,24,25,26)
InChIKeyKQERNYXALLNMQR-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.73
Rot. Bonds4

About cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone

cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110264956) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID110264956
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Namecyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1cc(Nc2ncccc2C)cc(C2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C23H30N4O/c1-16-7-5-11-24-22(16)26-20-13-17(2)25-21(14-20)19-10-6-12-27(15-19)23(28)18-8-3-4-9-18/h5,7,11,13-14,18-19H,3-4,6,8-10,12,15H2,1-2H3,(H,24,25,26)
InChIKeyKQERNYXALLNMQR-UHFFFAOYSA-N
XLogP4.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(E)-1-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 132766444
3-(furan-2-yl)-1-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]prop-2-en-1-one
CID 171147493
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95834893
cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 124980635
2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine
CID 95834977
(2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124958014
cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 95820279
(2-methyl-1,3-benzothiazol-6-yl)-[(3S)-3-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 95813661
cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 95842111
[(3S)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95837440
[(3S)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 95834919
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone (CID 110264956) is cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone is Cc1cc(Nc2ncccc2C)cc(C2CCCN(C(=O)C3CCCC3)C2)n1.
What is the InChIKey of cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is KQERNYXALLNMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-16-7-5-11-24-22(16)26-20-13-17(2)25-21(14-20)19-10-6-12-27(15-19)23(28)18-8-3-4-9-18/h5,7,11,13-14,18-19H,3-4,6,8-10,12,15H2,1-2H3,(H,24,25,26).
What are the key properties of cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 378.52 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110264956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).