N-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide

C24H29N3O — CID 46862454

IUPACN-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide
SMILESO=C(NC(c1ccccc1)C12CCC(CC1)N2CC1CCC1)c1ccncc1
InChIInChI=1S/C24H29N3O/c28-23(20-11-15-25-16-12-20)26-22(19-7-2-1-3-8-19)24-13-9-21(10-14-24)27(24)17-18-5-4-6-18/h1-3,7-8,11-12,15-16,18,21-22H,4-6,9-10,13-14,17H2,(H,26,28)
InChIKeyAJRJYPSIPFMRBX-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.35
Rot. Bonds6

About N-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide

N-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide (PubChem CID 46862454) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide
PubChem CID46862454
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide
SMILESO=C(NC(c1ccccc1)C12CCC(CC1)N2CC1CCC1)c1ccncc1
InChIInChI=1S/C24H29N3O/c28-23(20-11-15-25-16-12-20)26-22(19-7-2-1-3-8-19)24-13-9-21(10-14-24)27(24)17-18-5-4-6-18/h1-3,7-8,11-12,15-16,18,21-22H,4-6,9-10,13-14,17H2,(H,26,28)
InChIKeyAJRJYPSIPFMRBX-UHFFFAOYSA-N
XLogP4.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide?
The IUPAC name of N-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide (CID 46862454) is N-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide is O=C(NC(c1ccccc1)C12CCC(CC1)N2CC1CCC1)c1ccncc1.
What is the InChIKey of N-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide?
The InChIKey is AJRJYPSIPFMRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c28-23(20-11-15-25-16-12-20)26-22(19-7-2-1-3-8-19)24-13-9-21(10-14-24)27(24)17-18-5-4-6-18/h1-3,7-8,11-12,15-16,18,21-22H,4-6,9-10,13-14,17H2,(H,26,28).
What are the key properties of N-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide?
N-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide is sourced from PubChem (CID 46862454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).