5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide

C16H24N4O — CID 61140945

IUPAC5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C16H24N4O/c1-10-15(7-12(17)9-18-10)16(21)19-8-11-5-13-3-4-14(6-11)20(13)2/h7,9,11,13-14H,3-6,8,17H2,1-2H3,(H,19,21)
InChIKeyQNQOTVHQNKSDPQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.57
Rot. Bonds3

About 5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide

5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 61140945) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide
PubChem CID61140945
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C16H24N4O/c1-10-15(7-12(17)9-18-10)16(21)19-8-11-5-13-3-4-14(6-11)20(13)2/h7,9,11,13-14H,3-6,8,17H2,1-2H3,(H,19,21)
InChIKeyQNQOTVHQNKSDPQ-UHFFFAOYSA-N
XLogP1.57
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide (CID 61140945) is 5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide is Cc1ncc(N)cc1C(=O)NCC1CC2CCC(C1)N2C.
What is the InChIKey of 5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is QNQOTVHQNKSDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-10-15(7-12(17)9-18-10)16(21)19-8-11-5-13-3-4-14(6-11)20(13)2/h7,9,11,13-14H,3-6,8,17H2,1-2H3,(H,19,21).
What are the key properties of 5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide?
5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 61140945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).