N-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

C22H30N6O2 — CID 178137556

IUPACN-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESCCCC/C(=C\c1cnc(N)cc1C)CNC(=O)C1CCc2ncc(NC)c(=O)n21
InChIInChI=1S/C22H30N6O2/c1-4-5-6-15(10-16-12-25-19(23)9-14(16)2)11-27-21(29)18-7-8-20-26-13-17(24-3)22(30)28(18)20/h9-10,12-13,18,24H,4-8,11H2,1-3H3,(H2,23,25)(H,27,29)/b15-10+
InChIKeyKKUJFGOCGUEIHE-XNTDXEJSSA-N
MW410.52 g/mol
LogP2.45
Rot. Bonds8

About N-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

N-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 178137556) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
PubChem CID178137556
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC NameN-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESCCCC/C(=C\c1cnc(N)cc1C)CNC(=O)C1CCc2ncc(NC)c(=O)n21
InChIInChI=1S/C22H30N6O2/c1-4-5-6-15(10-16-12-25-19(23)9-14(16)2)11-27-21(29)18-7-8-20-26-13-17(24-3)22(30)28(18)20/h9-10,12-13,18,24H,4-8,11H2,1-3H3,(H2,23,25)(H,27,29)/b15-10+
InChIKeyKKUJFGOCGUEIHE-XNTDXEJSSA-N
XLogP2.45
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 178137556) is N-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is CCCC/C(=C\c1cnc(N)cc1C)CNC(=O)C1CCc2ncc(NC)c(=O)n21.
What is the InChIKey of N-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is KKUJFGOCGUEIHE-XNTDXEJSSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-4-5-6-15(10-16-12-25-19(23)9-14(16)2)11-27-21(29)18-7-8-20-26-13-17(24-3)22(30)28(18)20/h9-10,12-13,18,24H,4-8,11H2,1-3H3,(H2,23,25)(H,27,29)/b15-10+.
What are the key properties of N-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
N-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-[(6-amino-4-methyl-3-pyridinyl)methylidene]hexyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 178137556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).