5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine

C14H21N5 — CID 104533339

IUPAC5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)Cc2cnn(C)c2)c1
InChIInChI=1S/C14H21N5/c1-4-5-16-13-6-14(9-15-8-13)18(2)10-12-7-17-19(3)11-12/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyRAFZAMAFQVFPAV-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.27
Rot. Bonds6

About 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine

5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine (PubChem CID 104533339) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine
PubChem CID104533339
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)Cc2cnn(C)c2)c1
InChIInChI=1S/C14H21N5/c1-4-5-16-13-6-14(9-15-8-13)18(2)10-12-7-17-19(3)11-12/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyRAFZAMAFQVFPAV-UHFFFAOYSA-N
XLogP2.27
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104531987
5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104533243
5-N-methyl-3-N-propyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533005
2-[methyl-[5-(propylamino)-3-pyridinyl]amino]ethanol
CID 104532770
4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80779198
4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80799465
5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534718
N,N-dimethyl-2-[methyl-[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 104532890
3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 104535126
2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one
CID 103220314
6-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 79244019
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propylethane-1,2-diamine
CID 61441962

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine (CID 104533339) is 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(N(C)Cc2cnn(C)c2)c1.
What is the InChIKey of 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine?
The InChIKey is RAFZAMAFQVFPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-5-16-13-6-14(9-15-8-13)18(2)10-12-7-17-19(3)11-12/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine?
5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine has a molecular weight of 259.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104533339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).