5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine

C16H22N4 — CID 114878633

IUPAC5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine
SMILESCCCNC(c1cnccc1C)c1cc(C)cnc1N
InChIInChI=1S/C16H22N4/c1-4-6-19-15(14-10-18-7-5-12(14)3)13-8-11(2)9-20-16(13)17/h5,7-10,15,19H,4,6H2,1-3H3,(H2,17,20)
InChIKeyTXSQHCFCNVXNPW-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.76
Rot. Bonds5

About 5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine

5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine (PubChem CID 114878633) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine
PubChem CID114878633
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine
SMILESCCCNC(c1cnccc1C)c1cc(C)cnc1N
InChIInChI=1S/C16H22N4/c1-4-6-19-15(14-10-18-7-5-12(14)3)13-8-11(2)9-20-16(13)17/h5,7-10,15,19H,4,6H2,1-3H3,(H2,17,20)
InChIKeyTXSQHCFCNVXNPW-UHFFFAOYSA-N
XLogP2.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-4-amine
CID 114878589
N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878570
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006297
3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine
CID 79783902
3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine
CID 79495031
N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531140
N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 102952316
N-[(5-methylfuran-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006407
N-[(3-fluoro-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66270988
N-[(2-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164386
N-[(3-methylfuran-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 104806165

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine (CID 114878633) is 5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine is CCCNC(c1cnccc1C)c1cc(C)cnc1N.
What is the InChIKey of 5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine?
The InChIKey is TXSQHCFCNVXNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-6-19-15(14-10-18-7-5-12(14)3)13-8-11(2)9-20-16(13)17/h5,7-10,15,19H,4,6H2,1-3H3,(H2,17,20).
What are the key properties of 5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine?
5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 114878633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).