2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid

C14H15ClN2O2S — CID 174696301

IUPAC2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid
SMILESC=CC(=O)O.CCc1sccc1Nc1ccnc(Cl)c1
InChIInChI=1S/C11H11ClN2S.C3H4O2/c1-2-10-9(4-6-15-10)14-8-3-5-13-11(12)7-8;1-2-3(4)5/h3-7H,2H2,1H3,(H,13,14);2H,1H2,(H,4,5)
InChIKeyHCQXCRTWJZFWPK-UHFFFAOYSA-N
MW310.81 g/mol
LogP4.36
Rot. Bonds4

About 2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid

2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid (PubChem CID 174696301) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid.

Molecular Properties

Compound Name2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid
PubChem CID174696301
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid
SMILESC=CC(=O)O.CCc1sccc1Nc1ccnc(Cl)c1
InChIInChI=1S/C11H11ClN2S.C3H4O2/c1-2-10-9(4-6-15-10)14-8-3-5-13-11(12)7-8;1-2-3(4)5/h3-7H,2H2,1H3,(H,13,14);2H,1H2,(H,4,5)
InChIKeyHCQXCRTWJZFWPK-UHFFFAOYSA-N
XLogP4.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine
CID 102824327
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
N-(2-chloro-4-pyridinyl)heptanamide
CID 15790514
4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202174
2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine
CID 102824187
ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate
CID 134101188
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
CID 102824081
2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine
CID 102823905
3-[(2-chloro-4-pyridinyl)amino]-4-(N-ethylanilino)cyclobut-3-ene-1,2-dione
CID 87659363
2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide
CID 102824371
3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide
CID 103911721

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid?
The IUPAC name of 2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid (CID 174696301) is 2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid.
What is the SMILES notation for 2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid?
The canonical SMILES for 2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid is C=CC(=O)O.CCc1sccc1Nc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid?
The InChIKey is HCQXCRTWJZFWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S.C3H4O2/c1-2-10-9(4-6-15-10)14-8-3-5-13-11(12)7-8;1-2-3(4)5/h3-7H,2H2,1H3,(H,13,14);2H,1H2,(H,4,5).
What are the key properties of 2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid?
2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid has a molecular weight of 310.81 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid is sourced from PubChem (CID 174696301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).