2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine

C22H20N6 — CID 163459724

IUPAC2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(-c3ccc(Nc4ccnc(N)c4)cc3)cc2)c1
InChIInChI=1S/C22H20N6/c23-17-9-11-26-22(13-17)28-19-7-3-16(4-8-19)15-1-5-18(6-2-15)27-20-10-12-25-21(24)14-20/h1-14H,(H3,23,26,28)(H3,24,25,27)
InChIKeyBNNWWSAEQGTDQS-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.80
Rot. Bonds5

About 2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine

2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine (PubChem CID 163459724) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine
PubChem CID163459724
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(-c3ccc(Nc4ccnc(N)c4)cc3)cc2)c1
InChIInChI=1S/C22H20N6/c23-17-9-11-26-22(13-17)28-19-7-3-16(4-8-19)15-1-5-18(6-2-15)27-20-10-12-25-21(24)14-20/h1-14H,(H3,23,26,28)(H3,24,25,27)
InChIKeyBNNWWSAEQGTDQS-UHFFFAOYSA-N
XLogP4.80
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-amino-4-pyridinyl)amino]phenol
CID 139641692
2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
CID 63179146
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
azane;pyridine-2,4-diamine;hydrate
CID 175072071
2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine
CID 70875223
4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine
CID 113367916
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157043383
2-N-(4-phenylphenyl)pyrimidine-2,4-diamine
CID 71531843
2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine
CID 79770919
2-[(2-amino-4-pyridinyl)amino]-5-methylphenol
CID 139641686
5-N-(2-methyl-4-pyridinyl)pyridine-2,5-diamine
CID 157043905
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine?
The IUPAC name of 2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine (CID 163459724) is 2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine.
What is the SMILES notation for 2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine?
The canonical SMILES for 2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine is Nc1ccnc(Nc2ccc(-c3ccc(Nc4ccnc(N)c4)cc3)cc2)c1.
What is the InChIKey of 2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine?
The InChIKey is BNNWWSAEQGTDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c23-17-9-11-26-22(13-17)28-19-7-3-16(4-8-19)15-1-5-18(6-2-15)27-20-10-12-25-21(24)14-20/h1-14H,(H3,23,26,28)(H3,24,25,27).
What are the key properties of 2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine?
2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine has a molecular weight of 368.44 g/mol, XLogP of 4.80, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine is sourced from PubChem (CID 163459724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).