N-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide

C17H21N3O — CID 163830954

IUPACN-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide
SMILESN[C@]12CC3CC4C[C@@](NC(=O)c5ccccn5)(C1)C4(C3)C2
InChIInChI=1S/C17H21N3O/c18-15-6-11-5-12-8-17(10-15,16(12,7-11)9-15)20-14(21)13-3-1-2-4-19-13/h1-4,11-12H,5-10,18H2,(H,20,21)/t11?,12?,15-,16?,17+/m0/s1
InChIKeyODPANMQYHJJICN-HYTOVFGGSA-N
MW283.37 g/mol
LogP1.86
Rot. Bonds2

About N-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide

N-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide (PubChem CID 163830954) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide
PubChem CID163830954
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide
SMILESN[C@]12CC3CC4C[C@@](NC(=O)c5ccccn5)(C1)C4(C3)C2
InChIInChI=1S/C17H21N3O/c18-15-6-11-5-12-8-17(10-15,16(12,7-11)9-15)20-14(21)13-3-1-2-4-19-13/h1-4,11-12H,5-10,18H2,(H,20,21)/t11?,12?,15-,16?,17+/m0/s1
InChIKeyODPANMQYHJJICN-HYTOVFGGSA-N
XLogP1.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide (CID 163830954) is N-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide is N[C@]12CC3CC4C[C@@](NC(=O)c5ccccn5)(C1)C4(C3)C2.
What is the InChIKey of N-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide?
The InChIKey is ODPANMQYHJJICN-HYTOVFGGSA-N. The full InChI is InChI=1S/C17H21N3O/c18-15-6-11-5-12-8-17(10-15,16(12,7-11)9-15)20-14(21)13-3-1-2-4-19-13/h1-4,11-12H,5-10,18H2,(H,20,21)/t11?,12?,15-,16?,17+/m0/s1.
What are the key properties of N-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide?
N-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-1-amino-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]pyridine-2-carboxamide is sourced from PubChem (CID 163830954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).