[2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone

C21H26N4O — CID 56908104

IUPAC[2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
SMILESCNc1cc(C(=O)N2CCN(C3CCc4ccccc4C3)CC2)ccn1
InChIInChI=1S/C21H26N4O/c1-22-20-15-18(8-9-23-20)21(26)25-12-10-24(11-13-25)19-7-6-16-4-2-3-5-17(16)14-19/h2-5,8-9,15,19H,6-7,10-14H2,1H3,(H,22,23)
InChIKeyYCTRNWVQEQTVSI-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.44
Rot. Bonds3

About [2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone

[2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone (PubChem CID 56908104) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
PubChem CID56908104
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
SMILESCNc1cc(C(=O)N2CCN(C3CCc4ccccc4C3)CC2)ccn1
InChIInChI=1S/C21H26N4O/c1-22-20-15-18(8-9-23-20)21(26)25-12-10-24(11-13-25)19-7-6-16-4-2-3-5-17(16)14-19/h2-5,8-9,15,19H,6-7,10-14H2,1H3,(H,22,23)
InChIKeyYCTRNWVQEQTVSI-UHFFFAOYSA-N
XLogP2.44
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone 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

[2-(methylamino)-4-pyridinyl]-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95722811
(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56913190
2H-benzotriazol-5-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56910480
(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95720627
(6-amino-3-pyridinyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725486
(2-methyl-3H-benzimidazol-5-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709274
(5-methyl-1H-imidazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95469001
[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95718041
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56904168
quinoxalin-5-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725882
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 95715309

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone (CID 56908104) is [2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone is CNc1cc(C(=O)N2CCN(C3CCc4ccccc4C3)CC2)ccn1.
What is the InChIKey of [2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone?
The InChIKey is YCTRNWVQEQTVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-22-20-15-18(8-9-23-20)21(26)25-12-10-24(11-13-25)19-7-6-16-4-2-3-5-17(16)14-19/h2-5,8-9,15,19H,6-7,10-14H2,1H3,(H,22,23).
What are the key properties of [2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone?
[2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone has a molecular weight of 350.47 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56908104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).