2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine

C23H21N3OS — CID 145365389

IUPAC2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine
SMILESC/C=C/Oc1ccc(Nc2ccc3cc(-c4ccc(NC)cc4)sc3n2)cc1
InChIInChI=1S/C23H21N3OS/c1-3-14-27-20-11-9-19(10-12-20)25-22-13-6-17-15-21(28-23(17)26-22)16-4-7-18(24-2)8-5-16/h3-15,24H,1-2H3,(H,25,26)/b14-3+
InChIKeyMALFTYXKVMZGMF-LZWSPWQCSA-N
MW387.51 g/mol
LogP6.66
Rot. Bonds6

About 2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine

2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine (PubChem CID 145365389) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine
PubChem CID145365389
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine
SMILESC/C=C/Oc1ccc(Nc2ccc3cc(-c4ccc(NC)cc4)sc3n2)cc1
InChIInChI=1S/C23H21N3OS/c1-3-14-27-20-11-9-19(10-12-20)25-22-13-6-17-15-21(28-23(17)26-22)16-4-7-18(24-2)8-5-16/h3-15,24H,1-2H3,(H,25,26)/b14-3+
InChIKeyMALFTYXKVMZGMF-LZWSPWQCSA-N
XLogP6.66
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline
CID 46947162
6-[5-(1-benzothiophen-2-yl)-3-pyridinyl]-2-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 3677252
2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine
CID 177202491
2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80933993
4-(6-methoxyquinolin-2-yl)-N-methylaniline
CID 46931568
4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline
CID 65168743
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245
3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
CID 117027159
6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine
CID 155628726
6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine
CID 80920324
N-(4-propan-2-yloxyphenyl)quinolin-2-amine
CID 82535846
2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 3677248

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine?
The IUPAC name of 2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine (CID 145365389) is 2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine.
What is the SMILES notation for 2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine?
The canonical SMILES for 2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine is C/C=C/Oc1ccc(Nc2ccc3cc(-c4ccc(NC)cc4)sc3n2)cc1.
What is the InChIKey of 2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine?
The InChIKey is MALFTYXKVMZGMF-LZWSPWQCSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-3-14-27-20-11-9-19(10-12-20)25-22-13-6-17-15-21(28-23(17)26-22)16-4-7-18(24-2)8-5-16/h3-15,24H,1-2H3,(H,25,26)/b14-3+.
What are the key properties of 2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine?
2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine has a molecular weight of 387.51 g/mol, XLogP of 6.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine is sourced from PubChem (CID 145365389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).