(3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone

C22H29N3O — CID 109240719

IUPAC(3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone
SMILESCc1cccc(C(C)C)c1Nc1cncc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C22H29N3O/c1-15(2)20-9-5-8-17(4)21(20)24-19-11-18(12-23-13-19)22(26)25-10-6-7-16(3)14-25/h5,8-9,11-13,15-16,24H,6-7,10,14H2,1-4H3
InChIKeyUANNEYZDLLOCHX-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.13
Rot. Bonds4

About (3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone

(3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone (PubChem CID 109240719) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone
PubChem CID109240719
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone
SMILESCc1cccc(C(C)C)c1Nc1cncc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C22H29N3O/c1-15(2)20-9-5-8-17(4)21(20)24-19-11-18(12-23-13-19)22(26)25-10-6-7-16(3)14-25/h5,8-9,11-13,15-16,24H,6-7,10,14H2,1-4H3
InChIKeyUANNEYZDLLOCHX-UHFFFAOYSA-N
XLogP5.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone with MolForge

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Related Compounds

(3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone
CID 109223439
[5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228524
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone
CID 109237999
3-methyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47195287
(3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109240763
(3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109240749
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109240802
6-(3-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109099715
5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228825
[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249307
[5-(2-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226338
5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109105362

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone (CID 109240719) is (3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone is Cc1cccc(C(C)C)c1Nc1cncc(C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone?
The InChIKey is UANNEYZDLLOCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-15(2)20-9-5-8-17(4)21(20)24-19-11-18(12-23-13-19)22(26)25-10-6-7-16(3)14-25/h5,8-9,11-13,15-16,24H,6-7,10,14H2,1-4H3.
What are the key properties of (3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone?
(3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone has a molecular weight of 351.49 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109240719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).