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N,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine

C17H25N3S — CID 62279603

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(C)c(CNC(C)C)c(N(C)Cc2ccsc2)n1
InChIInChI=1S/C17H25N3S/c1-12(2)18-9-16-13(3)8-14(4)19-17(16)20(5)10-15-6-7-21-11-15/h6-8,11-12,18H,9-10H2,1-5H3
InChIKeyZWACTBBTUQVSRG-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.89
Rot. Bonds6

About N,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine

N,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine (PubChem CID 62279603) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine
PubChem CID62279603
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(C)c(CNC(C)C)c(N(C)Cc2ccsc2)n1
InChIInChI=1S/C17H25N3S/c1-12(2)18-9-16-13(3)8-14(4)19-17(16)20(5)10-15-6-7-21-11-15/h6-8,11-12,18H,9-10H2,1-5H3
InChIKeyZWACTBBTUQVSRG-UHFFFAOYSA-N
XLogP3.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The IUPAC name of N,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine (CID 62279603) is N,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for N,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine is Cc1cc(C)c(CNC(C)C)c(N(C)Cc2ccsc2)n1.
What is the InChIKey of N,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The InChIKey is ZWACTBBTUQVSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-12(2)18-9-16-13(3)8-14(4)19-17(16)20(5)10-15-6-7-21-11-15/h6-8,11-12,18H,9-10H2,1-5H3.
What are the key properties of N,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine?
N,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine has a molecular weight of 303.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62279603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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