[6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C22H29N3O — CID 109161744

IUPAC[6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Nc3ccccc3C(C)(C)C)nc2)C1
InChIInChI=1S/C22H29N3O/c1-16-8-7-13-25(15-16)21(26)17-11-12-20(23-14-17)24-19-10-6-5-9-18(19)22(2,3)4/h5-6,9-12,14,16H,7-8,13,15H2,1-4H3,(H,23,24)
InChIKeyCCGOBUKYYKXAIS-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.99
Rot. Bonds3

About [6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109161744) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is [6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109161744
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name[6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Nc3ccccc3C(C)(C)C)nc2)C1
InChIInChI=1S/C22H29N3O/c1-16-8-7-13-25(15-16)21(26)17-11-12-20(23-14-17)24-19-10-6-5-9-18(19)22(2,3)4/h5-6,9-12,14,16H,7-8,13,15H2,1-4H3,(H,23,24)
InChIKeyCCGOBUKYYKXAIS-UHFFFAOYSA-N
XLogP4.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23725328
N-[3-[[5-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109161758
[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273606
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
[6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1447856
(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 53014451
[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
[2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264362
(3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109312815
[6-(2-fluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126061

Frequently Asked Questions

What is the IUPAC name of [6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109161744) is [6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(Nc3ccccc3C(C)(C)C)nc2)C1.
What is the InChIKey of [6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is CCGOBUKYYKXAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16-8-7-13-25(15-16)21(26)17-11-12-20(23-14-17)24-19-10-6-5-9-18(19)22(2,3)4/h5-6,9-12,14,16H,7-8,13,15H2,1-4H3,(H,23,24).
What are the key properties of [6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 351.49 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109161744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).