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

C18H20N6 — CID 56949104

IUPACN'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine
SMILESCc1ccnc(Nc2cccc(-c3ccnc(NCCN)c3)n2)c1
InChIInChI=1S/C18H20N6/c1-13-5-8-21-18(11-13)24-16-4-2-3-15(23-16)14-6-9-20-17(12-14)22-10-7-19/h2-6,8-9,11-12H,7,10,19H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyNUAQVTPRWVEKDH-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.96
Rot. Bonds6

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

N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine (PubChem CID 56949104) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine
PubChem CID56949104
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC NameN'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine
SMILESCc1ccnc(Nc2cccc(-c3ccnc(NCCN)c3)n2)c1
InChIInChI=1S/C18H20N6/c1-13-5-8-21-18(11-13)24-16-4-2-3-15(23-16)14-6-9-20-17(12-14)22-10-7-19/h2-6,8-9,11-12H,7,10,19H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyNUAQVTPRWVEKDH-UHFFFAOYSA-N
XLogP2.96
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine (CID 56949104) is N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine is Cc1ccnc(Nc2cccc(-c3ccnc(NCCN)c3)n2)c1.
What is the InChIKey of N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is NUAQVTPRWVEKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-13-5-8-21-18(11-13)24-16-4-2-3-15(23-16)14-6-9-20-17(12-14)22-10-7-19/h2-6,8-9,11-12H,7,10,19H2,1H3,(H,20,22)(H,21,23,24).
What are the key properties of N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine?
N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 320.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 56949104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).