N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide

C17H24ClN5O2 — CID 121456295

IUPACN-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide
SMILESCN1C(=O)N2CC(C(=O)NCc3nccnc3Cl)CCC2CC1(C)C
InChIInChI=1S/C17H24ClN5O2/c1-17(2)8-12-5-4-11(10-23(12)16(25)22(17)3)15(24)21-9-13-14(18)20-7-6-19-13/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,21,24)
InChIKeyHFAUTYQYVDTDDT-UHFFFAOYSA-N
MW365.87 g/mol
LogP2.06
Rot. Bonds3

About N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide

N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide (PubChem CID 121456295) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide
PubChem CID121456295
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC NameN-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide
SMILESCN1C(=O)N2CC(C(=O)NCc3nccnc3Cl)CCC2CC1(C)C
InChIInChI=1S/C17H24ClN5O2/c1-17(2)8-12-5-4-11(10-23(12)16(25)22(17)3)15(24)21-9-13-14(18)20-7-6-19-13/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,21,24)
InChIKeyHFAUTYQYVDTDDT-UHFFFAOYSA-N
XLogP2.06
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide?
The IUPAC name of N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide (CID 121456295) is N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide is CN1C(=O)N2CC(C(=O)NCc3nccnc3Cl)CCC2CC1(C)C.
What is the InChIKey of N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide?
The InChIKey is HFAUTYQYVDTDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O2/c1-17(2)8-12-5-4-11(10-23(12)16(25)22(17)3)15(24)21-9-13-14(18)20-7-6-19-13/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,21,24).
What are the key properties of N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide?
N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide has a molecular weight of 365.87 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide is sourced from PubChem (CID 121456295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).