1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine

C15H18ClN3 — CID 105157330

IUPAC1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
SMILESCNC(CCc1ccncc1)Cc1ccncc1Cl
InChIInChI=1S/C15H18ClN3/c1-17-14(3-2-12-4-7-18-8-5-12)10-13-6-9-19-11-15(13)16/h4-9,11,14,17H,2-3,10H2,1H3
InChIKeyVLMDVPABVJUIGB-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.89
Rot. Bonds6

About 1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine

1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine (PubChem CID 105157330) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
PubChem CID105157330
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
SMILESCNC(CCc1ccncc1)Cc1ccncc1Cl
InChIInChI=1S/C15H18ClN3/c1-17-14(3-2-12-4-7-18-8-5-12)10-13-6-9-19-11-15(13)16/h4-9,11,14,17H,2-3,10H2,1H3
InChIKeyVLMDVPABVJUIGB-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
CID 103053100
N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852
1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
CID 105157358
[1-(3-chloro-4-pyridinyl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212419
1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105181723
1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 112655636
1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine
CID 66139956
1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105157450
N,5-dimethyl-1-pyridin-4-ylhexan-3-amine
CID 105082999
[1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine
CID 106868466
[1-(3-chloro-4-pyridinyl)-5-phenylpentan-2-yl]hydrazine
CID 105314808
3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516735

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine (CID 105157330) is 1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine is CNC(CCc1ccncc1)Cc1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine?
The InChIKey is VLMDVPABVJUIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-17-14(3-2-12-4-7-18-8-5-12)10-13-6-9-19-11-15(13)16/h4-9,11,14,17H,2-3,10H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine?
1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine has a molecular weight of 275.78 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 105157330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).