1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide

C26H35N5O2 — CID 155983027

IUPAC1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C)nc(C3CCCN(CC(=O)N4CCC(C(N)=O)CC4)C3)c2)cc1
InChIInChI=1S/C26H35N5O2/c1-18-5-7-22(8-6-18)29-23-14-19(2)28-24(15-23)21-4-3-11-30(16-21)17-25(32)31-12-9-20(10-13-31)26(27)33/h5-8,14-15,20-21H,3-4,9-13,16-17H2,1-2H3,(H2,27,33)(H,28,29)
InChIKeyMHOOQQGHPBZCNK-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.35
Rot. Bonds6

About 1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide

1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide (PubChem CID 155983027) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
PubChem CID155983027
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C)nc(C3CCCN(CC(=O)N4CCC(C(N)=O)CC4)C3)c2)cc1
InChIInChI=1S/C26H35N5O2/c1-18-5-7-22(8-6-18)29-23-14-19(2)28-24(15-23)21-4-3-11-30(16-21)17-25(32)31-12-9-20(10-13-31)26(27)33/h5-8,14-15,20-21H,3-4,9-13,16-17H2,1-2H3,(H2,27,33)(H,28,29)
InChIKeyMHOOQQGHPBZCNK-UHFFFAOYSA-N
XLogP3.35
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110264963
1-[2-[3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 110252308
2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
CID 110095008
(2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124958014
[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124966610
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
CID 155983028
(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
CID 124970731
1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one
CID 110088969
3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 110264929
2-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 110093582
[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971967
1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 95812324

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide (CID 155983027) is 1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide is Cc1ccc(Nc2cc(C)nc(C3CCCN(CC(=O)N4CCC(C(N)=O)CC4)C3)c2)cc1.
What is the InChIKey of 1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is MHOOQQGHPBZCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-18-5-7-22(8-6-18)29-23-14-19(2)28-24(15-23)21-4-3-11-30(16-21)17-25(32)31-12-9-20(10-13-31)26(27)33/h5-8,14-15,20-21H,3-4,9-13,16-17H2,1-2H3,(H2,27,33)(H,28,29).
What are the key properties of 1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide?
1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 155983027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).