3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide

C21H29FN4O — CID 142304522

IUPAC3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide
SMILESCc1cc(NC=O)ccc1F.Cc1cncc(C)c1NC1CCN(C)CC1
InChIInChI=1S/C13H21N3.C8H8FNO/c1-10-8-14-9-11(2)13(10)15-12-4-6-16(3)7-5-12;1-6-4-7(10-5-11)2-3-8(6)9/h8-9,12H,4-7H2,1-3H3,(H,14,15);2-5H,1H3,(H,10,11)
InChIKeyVBMPZBOCHJSMBB-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.91
Rot. Bonds4

About 3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide

3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide (PubChem CID 142304522) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide
PubChem CID142304522
Molecular FormulaC21H29FN4O
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC Name3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide
SMILESCc1cc(NC=O)ccc1F.Cc1cncc(C)c1NC1CCN(C)CC1
InChIInChI=1S/C13H21N3.C8H8FNO/c1-10-8-14-9-11(2)13(10)15-12-4-6-16(3)7-5-12;1-6-4-7(10-5-11)2-3-8(6)9/h8-9,12H,4-7H2,1-3H3,(H,14,15);2-5H,1H3,(H,10,11)
InChIKeyVBMPZBOCHJSMBB-UHFFFAOYSA-N
XLogP3.91
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide?
The IUPAC name of 3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide (CID 142304522) is 3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide.
What is the SMILES notation for 3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide?
The canonical SMILES for 3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide is Cc1cc(NC=O)ccc1F.Cc1cncc(C)c1NC1CCN(C)CC1.
What is the InChIKey of 3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide?
The InChIKey is VBMPZBOCHJSMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.C8H8FNO/c1-10-8-14-9-11(2)13(10)15-12-4-6-16(3)7-5-12;1-6-4-7(10-5-11)2-3-8(6)9/h8-9,12H,4-7H2,1-3H3,(H,14,15);2-5H,1H3,(H,10,11).
What are the key properties of 3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide?
3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide has a molecular weight of 372.49 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide is sourced from PubChem (CID 142304522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).