N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H23N5O2 — CID 56757648

IUPACN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)N[C@H]3C[C@H]4CN(C)CCN4C3)c(=O)n12
InChIInChI=1S/C18H23N5O2/c1-12-4-3-5-16-19-9-15(18(25)23(12)16)17(24)20-13-8-14-11-21(2)6-7-22(14)10-13/h3-5,9,13-14H,6-8,10-11H2,1-2H3,(H,20,24)/t13-,14-/m0/s1
InChIKeyVOYHEJHGZKFSLT-KBPBESRZSA-N
MW341.42 g/mol
LogP0.12
Rot. Bonds2

About N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 56757648) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID56757648
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)N[C@H]3C[C@H]4CN(C)CCN4C3)c(=O)n12
InChIInChI=1S/C18H23N5O2/c1-12-4-3-5-16-19-9-15(18(25)23(12)16)17(24)20-13-8-14-11-21(2)6-7-22(14)10-13/h3-5,9,13-14H,6-8,10-11H2,1-2H3,(H,20,24)/t13-,14-/m0/s1
InChIKeyVOYHEJHGZKFSLT-KBPBESRZSA-N
XLogP0.12
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 56757648) is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)N[C@H]3C[C@H]4CN(C)CCN4C3)c(=O)n12.
What is the InChIKey of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is VOYHEJHGZKFSLT-KBPBESRZSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-4-3-5-16-19-9-15(18(25)23(12)16)17(24)20-13-8-14-11-21(2)6-7-22(14)10-13/h3-5,9,13-14H,6-8,10-11H2,1-2H3,(H,20,24)/t13-,14-/m0/s1.
What are the key properties of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56757648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).