3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine

C16H22ClN3O — CID 62289802

IUPAC3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cnc(N(C)Cc2ccoc2C)c(Cl)c1
InChIInChI=1S/C16H22ClN3O/c1-4-6-18-9-13-8-15(17)16(19-10-13)20(3)11-14-5-7-21-12(14)2/h5,7-8,10,18H,4,6,9,11H2,1-3H3
InChIKeyRNRHBTSKCOUEGE-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.77
Rot. Bonds7

About 3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine

3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine (PubChem CID 62289802) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine
PubChem CID62289802
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cnc(N(C)Cc2ccoc2C)c(Cl)c1
InChIInChI=1S/C16H22ClN3O/c1-4-6-18-9-13-8-15(17)16(19-10-13)20(3)11-14-5-7-21-12(14)2/h5,7-8,10,18H,4,6,9,11H2,1-3H3
InChIKeyRNRHBTSKCOUEGE-UHFFFAOYSA-N
XLogP3.77
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 62289541
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine
CID 62412365
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 80631518
3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine
CID 63490143
5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 80631270
N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine
CID 80635878
3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294209
1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine
CID 61426881
2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine
CID 79081350
N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 80636506
2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol
CID 80635329
3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63026181

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine (CID 62289802) is 3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine is CCCNCc1cnc(N(C)Cc2ccoc2C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine?
The InChIKey is RNRHBTSKCOUEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-4-6-18-9-13-8-15(17)16(19-10-13)20(3)11-14-5-7-21-12(14)2/h5,7-8,10,18H,4,6,9,11H2,1-3H3.
What are the key properties of 3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine?
3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine has a molecular weight of 307.82 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62289802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).