N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide

C22H23N5O — CID 91431398

IUPACN-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1cnc(N2CCN3CCC2CC3)nc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H23N5O/c28-21(18-6-5-16-3-1-2-4-17(16)13-18)25-19-14-23-22(24-15-19)27-12-11-26-9-7-20(27)8-10-26/h1-6,13-15,20H,7-12H2,(H,25,28)
InChIKeyBYMYOZSICIMQBW-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.17
Rot. Bonds3

About N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide

N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide (PubChem CID 91431398) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide
PubChem CID91431398
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1cnc(N2CCN3CCC2CC3)nc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H23N5O/c28-21(18-6-5-16-3-1-2-4-17(16)13-18)25-19-14-23-22(24-15-19)27-12-11-26-9-7-20(27)8-10-26/h1-6,13-15,20H,7-12H2,(H,25,28)
InChIKeyBYMYOZSICIMQBW-UHFFFAOYSA-N
XLogP3.17
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride
CID 68567840
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
CID 122302221
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 95749448
N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide
CID 170421570
N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]naphthalene-2-carboxamide
CID 40922093
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
N-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 69422881
3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164633

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide (CID 91431398) is N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide is O=C(Nc1cnc(N2CCN3CCC2CC3)nc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide?
The InChIKey is BYMYOZSICIMQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-21(18-6-5-16-3-1-2-4-17(16)13-18)25-19-14-23-22(24-15-19)27-12-11-26-9-7-20(27)8-10-26/h1-6,13-15,20H,7-12H2,(H,25,28).
What are the key properties of N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide?
N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 91431398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).