N-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide

C17H25N5O2 — CID 166306844

IUPACN-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide
SMILESCN(C)CC1CCC(NC(=O)c2ccc3c(n2)NCC(=O)N3)CC1
InChIInChI=1S/C17H25N5O2/c1-22(2)10-11-3-5-12(6-4-11)19-17(24)14-8-7-13-16(21-14)18-9-15(23)20-13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,21)(H,19,24)(H,20,23)
InChIKeyVAFYEGGBSCEFOW-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.30
Rot. Bonds4

About N-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide

N-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide (PubChem CID 166306844) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide
PubChem CID166306844
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide
SMILESCN(C)CC1CCC(NC(=O)c2ccc3c(n2)NCC(=O)N3)CC1
InChIInChI=1S/C17H25N5O2/c1-22(2)10-11-3-5-12(6-4-11)19-17(24)14-8-7-13-16(21-14)18-9-15(23)20-13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,21)(H,19,24)(H,20,23)
InChIKeyVAFYEGGBSCEFOW-UHFFFAOYSA-N
XLogP1.30
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109295728
N-(1-methylpiperidin-4-yl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 145497385
N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109295730
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096549
6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62232953
N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 46852384
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide
CID 155391375
2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098676
N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109294728
N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733318

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide (CID 166306844) is N-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide is CN(C)CC1CCC(NC(=O)c2ccc3c(n2)NCC(=O)N3)CC1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide?
The InChIKey is VAFYEGGBSCEFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-22(2)10-11-3-5-12(6-4-11)19-17(24)14-8-7-13-16(21-14)18-9-15(23)20-13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,21)(H,19,24)(H,20,23).
What are the key properties of N-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide?
N-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]cyclohexyl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 166306844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).