N-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine

C18H22N4S — CID 46999382

IUPACN-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine
SMILESCc1ccnc(CC(C)N(C)Cc2ccc(-c3ccn[nH]3)s2)c1
InChIInChI=1S/C18H22N4S/c1-13-6-8-19-15(10-13)11-14(2)22(3)12-16-4-5-18(23-16)17-7-9-20-21-17/h4-10,14H,11-12H2,1-3H3,(H,20,21)
InChIKeyRWYYTDBXSANMHA-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.90
Rot. Bonds6

About N-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine

N-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 46999382) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID46999382
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC NameN-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine
SMILESCc1ccnc(CC(C)N(C)Cc2ccc(-c3ccn[nH]3)s2)c1
InChIInChI=1S/C18H22N4S/c1-13-6-8-19-15(10-13)11-14(2)22(3)12-16-4-5-18(23-16)17-7-9-20-21-17/h4-10,14H,11-12H2,1-3H3,(H,20,21)
InChIKeyRWYYTDBXSANMHA-UHFFFAOYSA-N
XLogP3.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine (CID 46999382) is N-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine is Cc1ccnc(CC(C)N(C)Cc2ccc(-c3ccn[nH]3)s2)c1.
What is the InChIKey of N-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is RWYYTDBXSANMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-13-6-8-19-15(10-13)11-14(2)22(3)12-16-4-5-18(23-16)17-7-9-20-21-17/h4-10,14H,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine?
N-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 326.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-2-pyridinyl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 46999382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).