4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine

C19H20N4 — CID 173090911

IUPAC4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCC(C)c1ccnc(N(Cc2ccncc2)c2ccccn2)c1
InChIInChI=1S/C19H20N4/c1-15(2)17-8-12-22-19(13-17)23(18-5-3-4-9-21-18)14-16-6-10-20-11-7-16/h3-13,15H,14H2,1-2H3
InChIKeyPCZSPWFPJAHCET-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.33
Rot. Bonds5

About 4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine

4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine (PubChem CID 173090911) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
PubChem CID173090911
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCC(C)c1ccnc(N(Cc2ccncc2)c2ccccn2)c1
InChIInChI=1S/C19H20N4/c1-15(2)17-8-12-22-19(13-17)23(18-5-3-4-9-21-18)14-16-6-10-20-11-7-16/h3-13,15H,14H2,1-2H3
InChIKeyPCZSPWFPJAHCET-UHFFFAOYSA-N
XLogP4.33
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine (CID 173090911) is 4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine is CC(C)c1ccnc(N(Cc2ccncc2)c2ccccn2)c1.
What is the InChIKey of 4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The InChIKey is PCZSPWFPJAHCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-15(2)17-8-12-22-19(13-17)23(18-5-3-4-9-21-18)14-16-6-10-20-11-7-16/h3-13,15H,14H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine has a molecular weight of 304.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 173090911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).