2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine

C18H17N7 — CID 139321591

IUPAC2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine
SMILESNc1ccc(-n2cccn2)nc1N(N)Cc1ccc2ncccc2c1
InChIInChI=1S/C18H17N7/c19-15-5-7-17(25-10-2-9-22-25)23-18(15)24(20)12-13-4-6-16-14(11-13)3-1-8-21-16/h1-11H,12,19-20H2
InChIKeyNCHXEFDSSKUXEA-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.28
Rot. Bonds4

About 2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine

2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine (PubChem CID 139321591) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound Name2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine
PubChem CID139321591
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC Name2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine
SMILESNc1ccc(-n2cccn2)nc1N(N)Cc1ccc2ncccc2c1
InChIInChI=1S/C18H17N7/c19-15-5-7-17(25-10-2-9-22-25)23-18(15)24(20)12-13-4-6-16-14(11-13)3-1-8-21-16/h1-11H,12,19-20H2
InChIKeyNCHXEFDSSKUXEA-UHFFFAOYSA-N
XLogP2.28
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[amino(quinolin-6-ylmethyl)amino]-6-[3-(methylsulfanylamino)phenyl]pyridin-3-amine
CID 155149925
4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
CID 43458332
4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide
CID 139324782
3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 113469085
N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide
CID 43209669
6-(2-chloroethyl)quinoline
CID 53404433
2-[4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]pyrazin-2-yl]pyrazol-1-yl]-N-oxopropanamide;ethane
CID 143578639
[2-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-3-azaniumylideneprop-1-enyl]-[2-(oxan-2-yloxy)ethenyl]azanium
CID 163739377
3-N-ethyl-3-N-(quinolin-6-ylmethyl)benzene-1,3-diamine
CID 63229505
2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
CID 61369413
1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
CID 104555130
3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845

Frequently Asked Questions

What is the IUPAC name of 2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of 2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine (CID 139321591) is 2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for 2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for 2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine is Nc1ccc(-n2cccn2)nc1N(N)Cc1ccc2ncccc2c1.
What is the InChIKey of 2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine?
The InChIKey is NCHXEFDSSKUXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c19-15-5-7-17(25-10-2-9-22-25)23-18(15)24(20)12-13-4-6-16-14(11-13)3-1-8-21-16/h1-11H,12,19-20H2.
What are the key properties of 2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine?
2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine has a molecular weight of 331.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 139321591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).