N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine

C15H18ClN3O — CID 103444757

IUPACN-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OC)c1)c1ncccc1Cl
InChIInChI=1S/C15H18ClN3O/c1-3-6-18-14(15-13(16)5-4-7-19-15)11-8-12(20-2)10-17-9-11/h4-5,7-10,14,18H,3,6H2,1-2H3
InChIKeyUQTDQKVIRKJXJU-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.23
Rot. Bonds6

About N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine

N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 103444757) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID103444757
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OC)c1)c1ncccc1Cl
InChIInChI=1S/C15H18ClN3O/c1-3-6-18-14(15-13(16)5-4-7-19-15)11-8-12(20-2)10-17-9-11/h4-5,7-10,14,18H,3,6H2,1-2H3
InChIKeyUQTDQKVIRKJXJU-UHFFFAOYSA-N
XLogP3.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(3-chloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 103444765
N-[(3-chloro-4-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105025776
N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 103444898
[(3-chloro-2-pyridinyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 103445839
N-[(5-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878523
1-(3-chloro-2-pyridinyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 103444068
N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 103444823
N-[(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105025951
N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374969
N-[(3-bromo-4-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105026163
N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 103444855
N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 105025942

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine (CID 103444757) is N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(OC)c1)c1ncccc1Cl.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is UQTDQKVIRKJXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-6-18-14(15-13(16)5-4-7-19-15)11-8-12(20-2)10-17-9-11/h4-5,7-10,14,18H,3,6H2,1-2H3.
What are the key properties of N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine?
N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 291.78 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 103444757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).