N,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine

C18H23N5S — CID 30881870

IUPACN,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine
SMILESCCN(CC)c1ncccc1CNCc1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C18H23N5S/c1-3-23(4-2)18-14(6-5-10-20-18)12-19-13-15-7-8-17(24-15)16-9-11-21-22-16/h5-11,19H,3-4,12-13H2,1-2H3,(H,21,22)
InChIKeyBYUNVQLRBGEYBX-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.67
Rot. Bonds8

About N,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine

N,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine (PubChem CID 30881870) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is N,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine
PubChem CID30881870
Molecular FormulaC18H23N5S
Molecular Weight341.48 g/mol
Exact Mass341.17
IUPAC NameN,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine
SMILESCCN(CC)c1ncccc1CNCc1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C18H23N5S/c1-3-23(4-2)18-14(6-5-10-20-18)12-19-13-15-7-8-17(24-15)16-9-11-21-22-16/h5-11,19H,3-4,12-13H2,1-2H3,(H,21,22)
InChIKeyBYUNVQLRBGEYBX-UHFFFAOYSA-N
XLogP3.67
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine?
The IUPAC name of N,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine (CID 30881870) is N,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine.
What is the SMILES notation for N,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine?
The canonical SMILES for N,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine is CCN(CC)c1ncccc1CNCc1ccc(-c2ccn[nH]2)s1.
What is the InChIKey of N,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine?
The InChIKey is BYUNVQLRBGEYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5S/c1-3-23(4-2)18-14(6-5-10-20-18)12-19-13-15-7-8-17(24-15)16-9-11-21-22-16/h5-11,19H,3-4,12-13H2,1-2H3,(H,21,22).
What are the key properties of N,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine?
N,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine has a molecular weight of 341.48 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine is sourced from PubChem (CID 30881870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).