4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide

C23H30N4O — CID 119062564

IUPAC4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide
SMILESNc1cccc(-c2ccc(C(=O)NC3(CN4CCCC4)CCCCC3)cc2)n1
InChIInChI=1S/C23H30N4O/c24-21-8-6-7-20(25-21)18-9-11-19(12-10-18)22(28)26-23(13-2-1-3-14-23)17-27-15-4-5-16-27/h6-12H,1-5,13-17H2,(H2,24,25)(H,26,28)
InChIKeyVVBQSSZFFQMFRM-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.86
Rot. Bonds5

About 4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide

4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide (PubChem CID 119062564) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide
PubChem CID119062564
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide
SMILESNc1cccc(-c2ccc(C(=O)NC3(CN4CCCC4)CCCCC3)cc2)n1
InChIInChI=1S/C23H30N4O/c24-21-8-6-7-20(25-21)18-9-11-19(12-10-18)22(28)26-23(13-2-1-3-14-23)17-27-15-4-5-16-27/h6-12H,1-5,13-17H2,(H2,24,25)(H,26,28)
InChIKeyVVBQSSZFFQMFRM-UHFFFAOYSA-N
XLogP3.86
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide?
The IUPAC name of 4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide (CID 119062564) is 4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide?
The canonical SMILES for 4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide is Nc1cccc(-c2ccc(C(=O)NC3(CN4CCCC4)CCCCC3)cc2)n1.
What is the InChIKey of 4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide?
The InChIKey is VVBQSSZFFQMFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c24-21-8-6-7-20(25-21)18-9-11-19(12-10-18)22(28)26-23(13-2-1-3-14-23)17-27-15-4-5-16-27/h6-12H,1-5,13-17H2,(H2,24,25)(H,26,28).
What are the key properties of 4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide?
4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide is sourced from PubChem (CID 119062564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).