N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane

C21H30N4 — CID 153376876

IUPACN-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane
SMILESCC.Cc1cncc(C)c1Nc1nccc2c1ccn2CCC(C)C
InChIInChI=1S/C19H24N4.C2H6/c1-13(2)6-9-23-10-7-16-17(23)5-8-21-19(16)22-18-14(3)11-20-12-15(18)4;1-2/h5,7-8,10-13H,6,9H2,1-4H3,(H,20,21,22);1-2H3
InChIKeyQVOABDXJWICHAR-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.86
Rot. Bonds5

About N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane

N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane (PubChem CID 153376876) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane
PubChem CID153376876
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC NameN-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane
SMILESCC.Cc1cncc(C)c1Nc1nccc2c1ccn2CCC(C)C
InChIInChI=1S/C19H24N4.C2H6/c1-13(2)6-9-23-10-7-16-17(23)5-8-21-19(16)22-18-14(3)11-20-12-15(18)4;1-2/h5,7-8,10-13H,6,9H2,1-4H3,(H,20,21,22);1-2H3
InChIKeyQVOABDXJWICHAR-UHFFFAOYSA-N
XLogP5.86
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane?
The IUPAC name of N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane (CID 153376876) is N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane.
What is the SMILES notation for N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane?
The canonical SMILES for N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane is CC.Cc1cncc(C)c1Nc1nccc2c1ccn2CCC(C)C.
What is the InChIKey of N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane?
The InChIKey is QVOABDXJWICHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4.C2H6/c1-13(2)6-9-23-10-7-16-17(23)5-8-21-19(16)22-18-14(3)11-20-12-15(18)4;1-2/h5,7-8,10-13H,6,9H2,1-4H3,(H,20,21,22);1-2H3.
What are the key properties of N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane?
N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane has a molecular weight of 338.50 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane is sourced from PubChem (CID 153376876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).