N-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide

C22H21N3O2 — CID 11494221

IUPACN-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide
SMILESO=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H21N3O2/c26-21(18-11-4-9-16-8-1-2-10-17(16)18)25-19-12-5-13-23-20(19)22(27)24-14-15-6-3-7-15/h1-2,4-5,8-13,15H,3,6-7,14H2,(H,24,27)(H,25,26)
InChIKeyPIHTTXCYHKHTJB-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.02
Rot. Bonds5

About N-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide

N-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide (PubChem CID 11494221) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide
PubChem CID11494221
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide
SMILESO=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H21N3O2/c26-21(18-11-4-9-16-8-1-2-10-17(16)18)25-19-12-5-13-23-20(19)22(27)24-14-15-6-3-7-15/h1-2,4-5,8-13,15H,3,6-7,14H2,(H,24,27)(H,25,26)
InChIKeyPIHTTXCYHKHTJB-UHFFFAOYSA-N
XLogP4.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide (CID 11494221) is N-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide is O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide?
The InChIKey is PIHTTXCYHKHTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21(18-11-4-9-16-8-1-2-10-17(16)18)25-19-12-5-13-23-20(19)22(27)24-14-15-6-3-7-15/h1-2,4-5,8-13,15H,3,6-7,14H2,(H,24,27)(H,25,26).
What are the key properties of N-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide?
N-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide is sourced from PubChem (CID 11494221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).