5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine

C22H17ClN4 — CID 68690332

IUPAC5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine
SMILESCc1cc(-c2ccc(Cl)cc2)cc(-c2cncc(-c3ccc(N)nc3)c2)n1
InChIInChI=1S/C22H17ClN4/c1-14-8-17(15-2-5-20(23)6-3-15)10-21(27-14)19-9-18(11-25-12-19)16-4-7-22(24)26-13-16/h2-13H,1H3,(H2,24,26)
InChIKeyNHZLMDPKCOLBFR-UHFFFAOYSA-N
MW372.86 g/mol
LogP5.42
Rot. Bonds3

About 5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine

5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine (PubChem CID 68690332) has the molecular formula C22H17ClN4 and a molecular weight of 372.86 g/mol. Its IUPAC name is 5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine
PubChem CID68690332
Molecular FormulaC22H17ClN4
Molecular Weight372.86 g/mol
Exact Mass372.11
IUPAC Name5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine
SMILESCc1cc(-c2ccc(Cl)cc2)cc(-c2cncc(-c3ccc(N)nc3)c2)n1
InChIInChI=1S/C22H17ClN4/c1-14-8-17(15-2-5-20(23)6-3-15)10-21(27-14)19-9-18(11-25-12-19)16-4-7-22(24)26-13-16/h2-13H,1H3,(H2,24,26)
InChIKeyNHZLMDPKCOLBFR-UHFFFAOYSA-N
XLogP5.42
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.86
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine (CID 68690332) is 5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine is Cc1cc(-c2ccc(Cl)cc2)cc(-c2cncc(-c3ccc(N)nc3)c2)n1.
What is the InChIKey of 5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine?
The InChIKey is NHZLMDPKCOLBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4/c1-14-8-17(15-2-5-20(23)6-3-15)10-21(27-14)19-9-18(11-25-12-19)16-4-7-22(24)26-13-16/h2-13H,1H3,(H2,24,26).
What are the key properties of 5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine?
5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine has a molecular weight of 372.86 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(4-chlorophenyl)-6-methyl-2-pyridinyl]-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 68690332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).