N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide

C17H15N5O — CID 122263987

IUPACN-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide
SMILESO=C(NCc1cc(C2CC2)ncn1)c1ccc2nccnc2c1
InChIInChI=1S/C17H15N5O/c23-17(12-3-4-14-16(7-12)19-6-5-18-14)20-9-13-8-15(11-1-2-11)22-10-21-13/h3-8,10-11H,1-2,9H2,(H,20,23)
InChIKeyAKQFQRBJKQBKRL-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.23
Rot. Bonds4

About N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide

N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide (PubChem CID 122263987) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide
PubChem CID122263987
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide
SMILESO=C(NCc1cc(C2CC2)ncn1)c1ccc2nccnc2c1
InChIInChI=1S/C17H15N5O/c23-17(12-3-4-14-16(7-12)19-6-5-18-14)20-9-13-8-15(11-1-2-11)22-10-21-13/h3-8,10-11H,1-2,9H2,(H,20,23)
InChIKeyAKQFQRBJKQBKRL-UHFFFAOYSA-N
XLogP2.23
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide
CID 122263855
4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide
CID 122263921
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 122263824
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide
CID 122263018
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide
CID 122263742
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 122263899
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122263898
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide
CID 122263908
N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide
CID 62849872
2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 26318348
N-[(6-methylpyrimidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122263384
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 121122821

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide (CID 122263987) is N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide is O=C(NCc1cc(C2CC2)ncn1)c1ccc2nccnc2c1.
What is the InChIKey of N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide?
The InChIKey is AKQFQRBJKQBKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-17(12-3-4-14-16(7-12)19-6-5-18-14)20-9-13-8-15(11-1-2-11)22-10-21-13/h3-8,10-11H,1-2,9H2,(H,20,23).
What are the key properties of N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide?
N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 122263987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).