N'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine

C19H22N6 — CID 56949222

IUPACN'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine
SMILESCc1ccnc(-c2ccc(N)nc2-c2ccnc(NCCCN)c2)c1
InChIInChI=1S/C19H22N6/c1-13-5-9-22-16(11-13)15-3-4-17(21)25-19(15)14-6-10-24-18(12-14)23-8-2-7-20/h3-6,9-12H,2,7-8,20H2,1H3,(H2,21,25)(H,23,24)
InChIKeyHQYZVDNTLBUXQR-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.86
Rot. Bonds6

About N'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine

N'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine (PubChem CID 56949222) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine
PubChem CID56949222
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine
SMILESCc1ccnc(-c2ccc(N)nc2-c2ccnc(NCCCN)c2)c1
InChIInChI=1S/C19H22N6/c1-13-5-9-22-16(11-13)15-3-4-17(21)25-19(15)14-6-10-24-18(12-14)23-8-2-7-20/h3-6,9-12H,2,7-8,20H2,1H3,(H2,21,25)(H,23,24)
InChIKeyHQYZVDNTLBUXQR-UHFFFAOYSA-N
XLogP2.86
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine with MolForge

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Related Compounds

N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107323471
N-(4-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 174775661
4-N-(4-aminobutyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 174851741
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 19689540
N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine
CID 83828114
N'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine
CID 156587764
4-methyl-N-(3-propoxypropyl)pyridin-2-amine
CID 82943413
N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine
CID 22093246
dichlororuthenium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 11261228

Frequently Asked Questions

What is the IUPAC name of N'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine?
The IUPAC name of N'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine (CID 56949222) is N'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine.
What is the SMILES notation for N'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine?
The canonical SMILES for N'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine is Cc1ccnc(-c2ccc(N)nc2-c2ccnc(NCCCN)c2)c1.
What is the InChIKey of N'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine?
The InChIKey is HQYZVDNTLBUXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-13-5-9-22-16(11-13)15-3-4-17(21)25-19(15)14-6-10-24-18(12-14)23-8-2-7-20/h3-6,9-12H,2,7-8,20H2,1H3,(H2,21,25)(H,23,24).
What are the key properties of N'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine?
N'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine has a molecular weight of 334.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine is sourced from PubChem (CID 56949222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).