N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline

C24H22N4 — CID 91345968

IUPACN,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline
SMILESCc1c(-c2ccc(N(C)C)cc2)cncc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C24H22N4/c1-17-20(18-10-12-19(13-11-18)28(2)3)15-25-16-21(17)22-8-6-9-24(27-22)23-7-4-5-14-26-23/h4-16H,1-3H3
InChIKeyAGXVVOMZXBOWPA-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.25
Rot. Bonds4

About N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline

N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline (PubChem CID 91345968) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline
PubChem CID91345968
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC NameN,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline
SMILESCc1c(-c2ccc(N(C)C)cc2)cncc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C24H22N4/c1-17-20(18-10-12-19(13-11-18)28(2)3)15-25-16-21(17)22-8-6-9-24(27-22)23-7-4-5-14-26-23/h4-16H,1-3H3
InChIKeyAGXVVOMZXBOWPA-UHFFFAOYSA-N
XLogP5.25
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline?
The IUPAC name of N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline (CID 91345968) is N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline is Cc1c(-c2ccc(N(C)C)cc2)cncc1-c1cccc(-c2ccccn2)n1.
What is the InChIKey of N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline?
The InChIKey is AGXVVOMZXBOWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-17-20(18-10-12-19(13-11-18)28(2)3)15-25-16-21(17)22-8-6-9-24(27-22)23-7-4-5-14-26-23/h4-16H,1-3H3.
What are the key properties of N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline?
N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline has a molecular weight of 366.47 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline is sourced from PubChem (CID 91345968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).